(3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride

C81H45Cl6F10N13O16S2 — CID 162121153

About (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride

(3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride (PubChem CID 162121153) has the molecular formula C81H45Cl6F10N13O16S2 and a molecular weight of 1923.16 g/mol. Its IUPAC name is (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride.

Molecular Properties

• Compound Name: (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride
• PubChem CID: 162121153
• Molecular Formula: C81H45Cl6F10N13O16S2
• Molecular Weight: 1923.16 g/mol
• Exact Mass: 1919.05
• IUPAC Name: (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride
• SMILES: CS(=O)(=O)Cl.CS(=O)(=O)Nc1c(F)ccc(C(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)c1F.Clc1cnc2[nH]c3ccccc3c2c1.Nc1c(F)ccc(C(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)c1F.O=C(Cl)c1ccc(F)c([N+](=O)[O-])c1F.O=C(O)c1ccc(F)c([N+](=O)[O-])c1F.O=C(c1ccc2[nH]c3ncc(Cl)cc3c2c1)c1ccc(F)c([N+](=O)[O-])c1F
• InChI: InChI=1S/C19H12ClF2N3O3S.C18H8ClF2N3O3.C18H10ClF2N3O.C11H7ClN2.C7H2ClF2NO3.C7H3F2NO4.CH3ClO2S/c1-29(27,28)25-17-14(21)4-3-11(16(17)22)18(26)9-2-5-15-12(6-9)13-7-10(20)8-23-19(13)24-15;19-9-6-12-11-5-8(1-4-14(11)23-18(12)22-7-9)17(25)10-2-3-13(20)16(15(10)21)24(26)27;19-9-6-12-11-5-8(1-4-14(11)24-18(12)23-7-9)17(25)10-2-3-13(20)16(22)15(10)21;12-7-5-9-8-3-1-2-4-10(8)14-11(9)13-6-7;8-7(12)3-1-2-4(9)6(5(3)10)11(13)14;8-4-2-1-3(7(11)12)5(9)6(4)10(13)14;1-5(2,3)4/h2-8,25H,1H3,(H,23,24);1-7H,(H,22,23);1-7H,22H2,(H,23,24);1-6H,(H,13,14);1-2H;1-2H,(H,11,12);1H3
• InChIKey: ZHKPKYVNHLZLFB-UHFFFAOYSA-N
• XLogP: 20.88
• TPSA: 456.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1923.16
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride?

The IUPAC name of (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride (CID 162121153) is (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride.

What is the SMILES notation for (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride?

The canonical SMILES for (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride is CS(=O)(=O)Cl.CS(=O)(=O)Nc1c(F)ccc(C(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)c1F.Clc1cnc2[nH]c3ccccc3c2c1.Nc1c(F)ccc(C(=O)c2ccc3[nH]c4ncc(Cl)cc4c3c2)c1F.O=C(Cl)c1ccc(F)c([N+](=O)[O-])c1F.O=C(O)c1ccc(F)c([N+](=O)[O-])c1F.O=C(c1ccc2[nH]c3ncc(Cl)cc3c2c1)c1ccc(F)c([N+](=O)[O-])c1F.

What is the InChIKey of (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride?

The InChIKey is ZHKPKYVNHLZLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O3S.C18H8ClF2N3O3.C18H10ClF2N3O.C11H7ClN2.C7H2ClF2NO3.C7H3F2NO4.CH3ClO2S/c1-29(27,28)25-17-14(21)4-3-11(16(17)22)18(26)9-2-5-15-12(6-9)13-7-10(20)8-23-19(13)24-15;19-9-6-12-11-5-8(1-4-14(11)23-18(12)22-7-9)17(25)10-2-3-13(20)16(15(10)21)24(26)27;19-9-6-12-11-5-8(1-4-14(11)24-18(12)23-7-9)17(25)10-2-3-13(20)16(22)15(10)21;12-7-5-9-8-3-1-2-4-10(8)14-11(9)13-6-7;8-7(12)3-1-2-4(9)6(5(3)10)11(13)14;8-4-2-1-3(7(11)12)5(9)6(4)10(13)14;1-5(2,3)4/h2-8,25H,1H3,(H,23,24);1-7H,(H,22,23);1-7H,22H2,(H,23,24);1-6H,(H,13,14);1-2H;1-2H,(H,11,12);1H3.

What are the key properties of (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride?

(3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride has a molecular weight of 1923.16 g/mol, XLogP of 20.88, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-2,4-difluorophenyl)-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)methanone;3-chloro-9H-pyrido[2,3-b]indole;N-[3-(3-chloro-9H-pyrido[2,3-b]indole-6-carbonyl)-2,6-difluorophenyl]methanesulfonamide;(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-(2,4-difluoro-3-nitrophenyl)methanone;2,4-difluoro-3-nitrobenzoic acid;2,4-difluoro-3-nitrobenzoyl chloride;methanesulfonyl chloride is sourced from PubChem (CID 162121153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).