2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid

C14H11ClN2O6S — CID 23002380

IUPAC2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid
SMILESCOc1cc(Cl)nc(C(=O)NS(=O)(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C14H11ClN2O6S/c1-23-8-6-10(16-12(15)7-8)13(18)17-24(21,22)11-5-3-2-4-9(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyRAUVBHAQHIIFMQ-UHFFFAOYSA-N
MW370.77 g/mol
LogP1.56
Rot. Bonds5

About 2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid

2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid (PubChem CID 23002380) has the molecular formula C14H11ClN2O6S and a molecular weight of 370.77 g/mol. Its IUPAC name is 2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid
PubChem CID23002380
Molecular FormulaC14H11ClN2O6S
Molecular Weight370.77 g/mol
Exact Mass370.00
IUPAC Name2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid
SMILESCOc1cc(Cl)nc(C(=O)NS(=O)(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C14H11ClN2O6S/c1-23-8-6-10(16-12(15)7-8)13(18)17-24(21,22)11-5-3-2-4-9(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyRAUVBHAQHIIFMQ-UHFFFAOYSA-N
XLogP1.56
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxy-6-methylpyridine-2-carbonyl)sulfamoyl]benzoic acid
CID 23002403
6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
CID 23002405
2-[[4-chloro-6-(2-methoxyethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 57322325
methyl 6-chloro-4-methoxypyridine-2-carboxylate
CID 45489866
(2,6-dichlorophenyl) N-(4,6-dimethoxypyridine-2-carbonyl)sulfamate
CID 19778891
2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 19418320
2-[(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 21275890
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
2-[[4-chloro-6-(2-methylphenyl)pyrimidin-2-yl]sulfamoyl]benzoic acid
CID 169224377
2-[[4-chloro-1-(difluoromethyl)-6-methoxy-2H-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 70130344
2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 23177681
2-[(1-hydroxy-4-methoxy-6-methylpyrimidin-2-ylidene)carbamoylsulfamoyl]benzoic acid
CID 70552234

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid (CID 23002380) is 2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid is COc1cc(Cl)nc(C(=O)NS(=O)(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid?
The InChIKey is RAUVBHAQHIIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O6S/c1-23-8-6-10(16-12(15)7-8)13(18)17-24(21,22)11-5-3-2-4-9(11)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid?
2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid has a molecular weight of 370.77 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-methoxypyridine-2-carbonyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 23002380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).