4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide

C74H64Cl2N10O8S2 — CID 158727154

About 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide

4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 158727154) has the molecular formula C74H64Cl2N10O8S2 and a molecular weight of 1356.43 g/mol. Its IUPAC name is 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide
• PubChem CID: 158727154
• Molecular Formula: C74H64Cl2N10O8S2
• Molecular Weight: 1356.43 g/mol
• Exact Mass: 1354.37
• IUPAC Name: 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide
• SMILES: [C-]#[N+]c1cc2c(-c3cncc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)c3Cl)cn(-c3ccc(S(=O)(=O)N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)cc3)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)cn(-c3ccc(S(N)(=O)=O)cc3)c2cc1C
• InChI: InChI=1S/C53H48ClN5O6S.C21H16ClN5O2S/c1-36-27-51-47(28-50(36)55-2)49(48-29-56-30-52(53(48)54)57(31-37-7-17-42(62-3)18-8-37)32-38-9-19-43(63-4)20-10-38)35-59(51)41-15-25-46(26-16-41)66(60,61)58(33-39-11-21-44(64-5)22-12-39)34-40-13-23-45(65-6)24-14-40;1-12-7-20-15(8-19(12)25-2)17(16-9-26-10-18(23)21(16)22)11-27(20)13-3-5-14(6-4-13)30(24,28)29/h7-30,35H,31-34H2,1,3-6H3;3-11H,23H2,1H3,(H2,24,28,29)
• InChIKey: IKQMXPFLNRWGRT-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 208.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1356.43
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide?

The IUPAC name of 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 158727154) is 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide.

What is the SMILES notation for 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide?

The canonical SMILES for 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide is [C-]#[N+]c1cc2c(-c3cncc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)c3Cl)cn(-c3ccc(S(=O)(=O)N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)cc3)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(N)c3Cl)cn(-c3ccc(S(N)(=O)=O)cc3)c2cc1C.

What is the InChIKey of 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide?

The InChIKey is IKQMXPFLNRWGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48ClN5O6S.C21H16ClN5O2S/c1-36-27-51-47(28-50(36)55-2)49(48-29-56-30-52(53(48)54)57(31-37-7-17-42(62-3)18-8-37)32-38-9-19-43(63-4)20-10-38)35-59(51)41-15-25-46(26-16-41)66(60,61)58(33-39-11-21-44(64-5)22-12-39)34-40-13-23-45(65-6)24-14-40;1-12-7-20-15(8-19(12)25-2)17(16-9-26-10-18(23)21(16)22)11-27(20)13-3-5-14(6-4-13)30(24,28)29/h7-30,35H,31-34H2,1,3-6H3;3-11H,23H2,1H3,(H2,24,28,29).

What are the key properties of 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide?

4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 1356.43 g/mol, XLogP of 16.27, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(5-amino-4-chloro-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]benzenesulfonamide;4-[3-[5-[bis[(4-methoxyphenyl)methyl]amino]-4-chloro-3-pyridinyl]-5-isocyano-6-methylindol-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 158727154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).