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

C132H131Cl13N18O12S5 — CID 161334493

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;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
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)nn1.Cc1ccc(Cl)s1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc2onc(N)c12.Cc1ncc(Cl)cn1.Nc1nccc2ccccc12
InChIInChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C9H9N3O.C9H8N2.C8H8ClNO.C8H10ClN.C8H9ClO2S.C8H8N2O.C7H8ClNO2S.C7H7Cl.C6H6ClN.2C5H5ClN2.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;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;10-9-8-4-2-1-3-7(8)5-6-11-9;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;1-5-3-2-4-6-7(5)8(9)10-11-6;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)8-7-4;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);2-5H,1H3,(H2,10,11,12,13);1-6H,(H2,10,11);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*2-3H,1H3;2-3H,1H3
InChIKeyVLVRDOCPQIMAFS-UHFFFAOYSA-N
MW2782.84 g/mol
LogP33.90
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;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

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 (PubChem CID 161334493) has the molecular formula C132H131Cl13N18O12S5 and a molecular weight of 2782.84 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;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.

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;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
PubChem CID161334493
Molecular FormulaC132H131Cl13N18O12S5
Molecular Weight2782.84 g/mol
Exact Mass2774.47
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;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
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)nn1.Cc1ccc(Cl)s1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc2onc(N)c12.Cc1ncc(Cl)cn1.Nc1nccc2ccccc12
InChIInChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C9H9N3O.C9H8N2.C8H8ClNO.C8H10ClN.C8H9ClO2S.C8H8N2O.C7H8ClNO2S.C7H7Cl.C6H6ClN.2C5H5ClN2.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;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;10-9-8-4-2-1-3-7(8)5-6-11-9;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;1-5-3-2-4-6-7(5)8(9)10-11-6;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)8-7-4;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);2-5H,1H3,(H2,10,11,12,13);1-6H,(H2,10,11);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*2-3H,1H3;2-3H,1H3
InChIKeyVLVRDOCPQIMAFS-UHFFFAOYSA-N
XLogP33.90
TPSA543.77 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002782.84
LogP ≤ 533.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

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;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 with MolForge

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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
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
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
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;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?
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;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) 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;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.
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;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?
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;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 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)nn1.Cc1ccc(Cl)s1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc2onc(N)c12.Cc1ncc(Cl)cn1.Nc1nccc2ccccc12.
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;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?
The InChIKey is VLVRDOCPQIMAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C9H9N3O.C9H8N2.C8H8ClNO.C8H10ClN.C8H9ClO2S.C8H8N2O.C7H8ClNO2S.C7H7Cl.C6H6ClN.2C5H5ClN2.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;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;10-9-8-4-2-1-3-7(8)5-6-11-9;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;1-5-3-2-4-6-7(5)8(9)10-11-6;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)8-7-4;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);2-5H,1H3,(H2,10,11,12,13);1-6H,(H2,10,11);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*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;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?
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 has a molecular weight of 2782.84 g/mol, XLogP of 33.90, 9 rotatable bonds, 10 hydrogen bond donors, and 25 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;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 is sourced from PubChem (CID 161334493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).