5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one

C128H128Cl12N16O12S5 — CID 158157847

IUPAC5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2cc1S(N)(=O)=O.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1S(C)(=O)=O.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ncc(Cl)cn1
InChIInChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C10H10N2.C9H9N3O.C8H8ClNO.C8H10ClN.C8H9ClO2S.C8H8N2O.C7H8ClNO2S.C7H7Cl.C6H6ClN.C5H5ClN2.C5H5ClS/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)16(2,14)15;1-7-4-8-2-3-10(12)5-9(8)6-11(7)16(13,14)15;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-5-2-3-6(9)4-7(5)8(10)11;1-6-2-3-8(9)4-7(6)5-10;1-6-3-4-7(9)5-8(6)12(2,10)11;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6(8)4-7(5)12(9,10)11;1-6-2-4-7(8)5-3-6;1-5-2-3-6(7)4-8-5;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)7-4/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;3-7H,1-2H3;2-6H,1H3,(H2,13,14,15);2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12,13);2-4H,1H3,(H2,10,11);2-4H,5,10H2,1H3;3-5H,1-2H3;2-4H,1H3,(H2,9,10);2-4H,1H3,(H2,9,10,11);2-5H,1H3;2-4H,1H3;2-3H,1H3;2-3H,1H3
InChIKeyFVXGCSJPNILXMN-UHFFFAOYSA-N
MW2668.30 g/mol
LogP32.77
Rot. Bonds9

About 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one

5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 158157847) has the molecular formula C128H128Cl12N16O12S5 and a molecular weight of 2668.30 g/mol. Its IUPAC name is 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID158157847
Molecular FormulaC128H128Cl12N16O12S5
Molecular Weight2668.30 g/mol
Exact Mass2660.48
IUPAC Name5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2cc1S(N)(=O)=O.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1S(C)(=O)=O.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ncc(Cl)cn1
InChIInChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C10H10N2.C9H9N3O.C8H8ClNO.C8H10ClN.C8H9ClO2S.C8H8N2O.C7H8ClNO2S.C7H7Cl.C6H6ClN.C5H5ClN2.C5H5ClS/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)16(2,14)15;1-7-4-8-2-3-10(12)5-9(8)6-11(7)16(13,14)15;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-5-2-3-6(9)4-7(5)8(10)11;1-6-2-3-8(9)4-7(6)5-10;1-6-3-4-7(9)5-8(6)12(2,10)11;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6(8)4-7(5)12(9,10)11;1-6-2-4-7(8)5-3-6;1-5-2-3-6(7)4-8-5;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)7-4/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;3-7H,1-2H3;2-6H,1H3,(H2,13,14,15);2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12,13);2-4H,1H3,(H2,10,11);2-4H,5,10H2,1H3;3-5H,1-2H3;2-4H,1H3,(H2,9,10);2-4H,1H3,(H2,9,10,11);2-5H,1H3;2-4H,1H3;2-3H,1H3;2-3H,1H3
InChIKeyFVXGCSJPNILXMN-UHFFFAOYSA-N
XLogP32.77
TPSA517.99 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002668.30
LogP ≤ 532.77
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;2-chloro-6-methylquinoline;3-chloro-7-methylquinoline;7-chloro-3-methylquinoline;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 157234830
5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;6-chloro-2-methyl-1-benzothiophene;5-chloro-2-methyl-1H-indole;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;2-chloro-6-methylquinoline;3-chloro-7-methylquinoline;7-chloro-3-methylquinoline;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 157769023
5-chloro-2-methylbenzamide;5-chloro-2-methylbenzenesulfonamide;5-chloro-2-methyl-1H-indole;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;2-chloro-6-methylquinoline;3-chloro-7-methylquinoline;7-chloro-3-methylquinoline;6-chloro-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 158078724
2-Chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine
CID 158605600
benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one
CID 159141114
benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one
CID 159428176
5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;5-chloro-2-methyl-1H-indole;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;2-chloro-6-methylquinoline;3-chloro-7-methylquinoline;7-chloro-3-methylquinoline;6-chloro-2-methylthieno[3,2-b]pyridine;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 159673974
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;3-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline
CID 160038858
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline
CID 160150352
5-Chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 160896386
5-Chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;isoquinolin-1-amine;4-methyl-1,2-benzoxazol-3-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 161334493
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline
CID 161628144

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one (CID 158157847) is 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one is Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2cc1S(N)(=O)=O.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1S(C)(=O)=O.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is FVXGCSJPNILXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C10H10N2.C9H9N3O.C8H8ClNO.C8H10ClN.C8H9ClO2S.C8H8N2O.C7H8ClNO2S.C7H7Cl.C6H6ClN.C5H5ClN2.C5H5ClS/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)16(2,14)15;1-7-4-8-2-3-10(12)5-9(8)6-11(7)16(13,14)15;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-5-2-3-6(9)4-7(5)8(10)11;1-6-2-3-8(9)4-7(6)5-10;1-6-3-4-7(9)5-8(6)12(2,10)11;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6(8)4-7(5)12(9,10)11;1-6-2-4-7(8)5-3-6;1-5-2-3-6(7)4-8-5;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)7-4/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;3-7H,1-2H3;2-6H,1H3,(H2,13,14,15);2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12,13);2-4H,1H3,(H2,10,11);2-4H,5,10H2,1H3;3-5H,1-2H3;2-4H,1H3,(H2,9,10);2-4H,1H3,(H2,9,10,11);2-5H,1H3;2-4H,1H3;2-3H,1H3;2-3H,1H3.
What are the key properties of 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one?
5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 2668.30 g/mol, XLogP of 32.77, 9 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylbenzamide;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;(5-chloro-2-methylphenyl)methanamine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 158157847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).