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

C170H159Cl15N18O12S5 — CID 159673974

About 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

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 (PubChem CID 159673974) has the molecular formula C170H159Cl15N18O12S5 and a molecular weight of 3338.39 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159673974
• Molecular Formula: C170H159Cl15N18O12S5
• Molecular Weight: 3338.39 g/mol
• Exact Mass: 3328.63
• IUPAC Name: 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
• SMILES: Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2cc1S(N)(=O)=O.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1S(C)(=O)=O.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(Cl)cnc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cnc2cc(Cl)ccc2c1
• InChI: InChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C11H9Cl.3C10H8ClN.C10H10N2.C9H8ClN.C9H9N3O.C8H8ClNO.C8H6ClNS.C8H10ClN.C8H9ClO2S.C8H8N2O.C7H8ClNO2S.C7H7Cl/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;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-2-3-8-5-9(11)6-12-10(8)4-7;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-4-7-5-8(10)2-3-9(7)11-6;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;1-5-2-7-8(11-5)3-6(9)4-10-7;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/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;3-7H,1-2H3;2-6H,1H3,(H2,13,14,15);2-7H,1H3;3*2-6H,1H3;2-6H,1H3,(H2,11,12);2-5,11H,1H3;2-5H,1H3,(H2,10,11,12,13);2-4H,1H3,(H2,10,11);2-4H,1H3;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
• InChIKey: MUIZLJVFPXUVPC-UHFFFAOYSA-N
• XLogP: 46.36
• TPSA: 546.67 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3338.39
LogP ≤ 5	46.36
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc2cc(Cl)ccc2[nH]1.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2cc1S(N)(=O)=O.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1S(C)(=O)=O.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(Cl)cnc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cnc2cc(Cl)ccc2c1.

What is the InChIKey of 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?

The InChIKey is MUIZLJVFPXUVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C11H9Cl.3C10H8ClN.C10H10N2.C9H8ClN.C9H9N3O.C8H8ClNO.C8H6ClNS.C8H10ClN.C8H9ClO2S.C8H8N2O.C7H8ClNO2S.C7H7Cl/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;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-2-3-8-5-9(11)6-12-10(8)4-7;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-4-7-5-8(10)2-3-9(7)11-6;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;1-5-2-7-8(11-5)3-6(9)4-10-7;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/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;3-7H,1-2H3;2-6H,1H3,(H2,13,14,15);2-7H,1H3;3*2-6H,1H3;2-6H,1H3,(H2,11,12);2-5,11H,1H3;2-5H,1H3,(H2,10,11,12,13);2-4H,1H3,(H2,10,11);2-4H,1H3;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.

What are the key properties of 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?

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 has a molecular weight of 3338.39 g/mol, XLogP of 46.36, 9 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159673974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).