N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide

C39H31Cl2F6N9O6S2 — CID 157461303

About N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide

N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 157461303) has the molecular formula C39H31Cl2F6N9O6S2 and a molecular weight of 970.76 g/mol. Its IUPAC name is N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 157461303
• Molecular Formula: C39H31Cl2F6N9O6S2
• Molecular Weight: 970.76 g/mol
• Exact Mass: 969.11
• IUPAC Name: N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
• SMILES: CON=C(c1ccnc(N)c1)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(N)c2)cc1C(F)(F)F
• InChI: InChI=1S/C20H17ClF3N5O3S.C19H14ClF3N4O3S/c1-11-3-4-14(9-15(11)20(22,23)24)33(30,31)29-16-8-13(21)10-27-19(16)18(28-32-2)12-5-6-26-17(25)7-12;1-10-2-3-13(8-14(10)19(21,22)23)31(29,30)27-15-7-12(20)9-26-17(15)18(28)11-4-5-25-16(24)6-11/h3-10,29H,1-2H3,(H2,25,26);2-9,27H,1H3,(H2,24,25)
• InChIKey: BTYLPUJSYNDCPY-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 234.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	970.76
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide (CID 157461303) is N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is CON=C(c1ccnc(N)c1)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc(N)c2)cc1C(F)(F)F.

What is the InChIKey of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is BTYLPUJSYNDCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N5O3S.C19H14ClF3N4O3S/c1-11-3-4-14(9-15(11)20(22,23)24)33(30,31)29-16-8-13(21)10-27-19(16)18(28-32-2)12-5-6-26-17(25)7-12;1-10-2-3-13(8-14(10)19(21,22)23)31(29,30)27-15-7-12(20)9-26-17(15)18(28)11-4-5-25-16(24)6-11/h3-10,29H,1-2H3,(H2,25,26);2-9,27H,1H3,(H2,24,25).

What are the key properties of N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide?

N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 970.76 g/mol, XLogP of 8.31, 11 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-aminopyridine-4-carbonyl)-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 157461303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).