5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid

C24H22ClN3O5S — CID 150529618

IUPAC5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid
SMILESCNc1cc(C#Cc2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC)c(C)c2C)cnc1C(=O)O
InChIInChI=1S/C24H22ClN3O5S/c1-14-15(2)22(10-9-21(14)33-4)34(31,32)28-19-8-7-18(25)12-17(19)6-5-16-11-20(26-3)23(24(29)30)27-13-16/h7-13,26,28H,1-4H3,(H,29,30)
InChIKeyIDOGPWPNWJDSAG-UHFFFAOYSA-N
MW499.98 g/mol
LogP4.30
Rot. Bonds6

About 5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid

5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid (PubChem CID 150529618) has the molecular formula C24H22ClN3O5S and a molecular weight of 499.98 g/mol. Its IUPAC name is 5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid
PubChem CID150529618
Molecular FormulaC24H22ClN3O5S
Molecular Weight499.98 g/mol
Exact Mass499.10
IUPAC Name5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid
SMILESCNc1cc(C#Cc2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC)c(C)c2C)cnc1C(=O)O
InChIInChI=1S/C24H22ClN3O5S/c1-14-15(2)22(10-9-21(14)33-4)34(31,32)28-19-8-7-18(25)12-17(19)6-5-16-11-20(26-3)23(24(29)30)27-13-16/h7-13,26,28H,1-4H3,(H,29,30)
InChIKeyIDOGPWPNWJDSAG-UHFFFAOYSA-N
XLogP4.30
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-[5-fluoro-2-[(5-methoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-3-methylpyridine-2-carboxylic acid
CID 151872225
5-[2-[5-chloro-2-[(5-methoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide
CID 151740033
N-(4-chloro-2-methoxyphenyl)-3-fluoro-4-methoxy-2-methylbenzenesulfonamide
CID 167870592
5-[2-[2-[(5-methoxyquinolin-8-yl)sulfonylamino]-5-phenylphenyl]ethynyl]pyridine-2-carboxylic acid
CID 151344376
N-(5-chloro-2-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303356
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
4-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]benzoic acid
CID 15944036
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235705
5-[2-[2-[(5-methoxyquinolin-8-yl)sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylic acid
CID 150303390
3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115777996
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443083
2-chloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
CID 43388263

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid (CID 150529618) is 5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid is CNc1cc(C#Cc2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC)c(C)c2C)cnc1C(=O)O.
What is the InChIKey of 5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid?
The InChIKey is IDOGPWPNWJDSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5S/c1-14-15(2)22(10-9-21(14)33-4)34(31,32)28-19-8-7-18(25)12-17(19)6-5-16-11-20(26-3)23(24(29)30)27-13-16/h7-13,26,28H,1-4H3,(H,29,30).
What are the key properties of 5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid?
5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid has a molecular weight of 499.98 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-chloro-2-[(4-methoxy-2,3-dimethylphenyl)sulfonylamino]phenyl]ethynyl]-3-(methylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 150529618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).