4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide

C73H63Cl2N5O5S — CID 173380977

IUPAC4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide
SMILESCCc1c(-c2ccc(C)nc2-c2ccc(-c3ccc(C)nc3-c3ccc(-c4ccc(C)nc4)c(OC)c3C)c(C)c2C)cccc1-c1c(-c2cccc(-c3c(-c4cccc(OC)c4)cc(-c4ccccc4Cl)nc3C)c2Cl)ccc(S(N)(=O)=O)c1O
InChIInChI=1S/C73H63Cl2N5O5S/c1-11-50-55(60-30-27-42(4)78-70(60)52-32-31-51(43(5)44(52)6)59-29-26-41(3)79-71(59)53-33-34-54(73(85-10)45(53)7)48-28-25-40(2)77-39-48)20-15-21-56(50)68-57(35-36-66(72(68)81)86(76,82)83)58-22-16-23-62(69(58)75)67-46(8)80-65(61-19-12-13-24-64(61)74)38-63(67)47-17-14-18-49(37-47)84-9/h12-39,81H,11H2,1-10H3,(H2,76,82,83)
InChIKeyQGGUMKAEDYUQRX-UHFFFAOYSA-N
MW1193.31 g/mol
LogP18.33
Rot. Bonds14

About 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide

4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide (PubChem CID 173380977) has the molecular formula C73H63Cl2N5O5S and a molecular weight of 1193.31 g/mol. Its IUPAC name is 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide
PubChem CID173380977
Molecular FormulaC73H63Cl2N5O5S
Molecular Weight1193.31 g/mol
Exact Mass1191.39
IUPAC Name4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide
SMILESCCc1c(-c2ccc(C)nc2-c2ccc(-c3ccc(C)nc3-c3ccc(-c4ccc(C)nc4)c(OC)c3C)c(C)c2C)cccc1-c1c(-c2cccc(-c3c(-c4cccc(OC)c4)cc(-c4ccccc4Cl)nc3C)c2Cl)ccc(S(N)(=O)=O)c1O
InChIInChI=1S/C73H63Cl2N5O5S/c1-11-50-55(60-30-27-42(4)78-70(60)52-32-31-51(43(5)44(52)6)59-29-26-41(3)79-71(59)53-33-34-54(73(85-10)45(53)7)48-28-25-40(2)77-39-48)20-15-21-56(50)68-57(35-36-66(72(68)81)86(76,82)83)58-22-16-23-62(69(58)75)67-46(8)80-65(61-19-12-13-24-64(61)74)38-63(67)47-17-14-18-49(37-47)84-9/h12-39,81H,11H2,1-10H3,(H2,76,82,83)
InChIKeyQGGUMKAEDYUQRX-UHFFFAOYSA-N
XLogP18.33
TPSA150.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.31
LogP ≤ 518.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide (CID 173380977) is 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide is CCc1c(-c2ccc(C)nc2-c2ccc(-c3ccc(C)nc3-c3ccc(-c4ccc(C)nc4)c(OC)c3C)c(C)c2C)cccc1-c1c(-c2cccc(-c3c(-c4cccc(OC)c4)cc(-c4ccccc4Cl)nc3C)c2Cl)ccc(S(N)(=O)=O)c1O.
What is the InChIKey of 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide?
The InChIKey is QGGUMKAEDYUQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H63Cl2N5O5S/c1-11-50-55(60-30-27-42(4)78-70(60)52-32-31-51(43(5)44(52)6)59-29-26-41(3)79-71(59)53-33-34-54(73(85-10)45(53)7)48-28-25-40(2)77-39-48)20-15-21-56(50)68-57(35-36-66(72(68)81)86(76,82)83)58-22-16-23-62(69(58)75)67-46(8)80-65(61-19-12-13-24-64(61)74)38-63(67)47-17-14-18-49(37-47)84-9/h12-39,81H,11H2,1-10H3,(H2,76,82,83).
What are the key properties of 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide?
4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide has a molecular weight of 1193.31 g/mol, XLogP of 18.33, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-[6-(2-chlorophenyl)-4-(3-methoxyphenyl)-2-methyl-3-pyridinyl]phenyl]-3-[2-ethyl-3-[2-[4-[2-[3-methoxy-2-methyl-4-(6-methyl-3-pyridinyl)phenyl]-6-methyl-3-pyridinyl]-2,3-dimethylphenyl]-6-methyl-3-pyridinyl]phenyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 173380977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).