N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide

C16H13ClN4O4S — CID 134398714

IUPACN-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide
SMILESCOc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(Cl)n2)n1
InChIInChI=1S/C16H13ClN4O4S/c1-25-14-9-10-21(19-14)13-8-7-12(15(17)18-13)16(22)20-26(23,24)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,22)
InChIKeyIANBRANAHDXMBE-UHFFFAOYSA-N
MW392.82 g/mol
LogP2.05
Rot. Bonds5

About N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide

N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 134398714) has the molecular formula C16H13ClN4O4S and a molecular weight of 392.82 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide
PubChem CID134398714
Molecular FormulaC16H13ClN4O4S
Molecular Weight392.82 g/mol
Exact Mass392.03
IUPAC NameN-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide
SMILESCOc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(Cl)n2)n1
InChIInChI=1S/C16H13ClN4O4S/c1-25-14-9-10-21(19-14)13-8-7-12(15(17)18-13)16(22)20-26(23,24)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,22)
InChIKeyIANBRANAHDXMBE-UHFFFAOYSA-N
XLogP2.05
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide
CID 134393536
N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 160837808
N-(benzenesulfonyl)-6-[3-[tert-butyl(dimethyl)silyl]pyrazol-1-yl]-2-chloropyridine-3-carboxamide
CID 156680998
2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxylic acid;prop-1-ene
CID 142372540
2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 159154837
N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
CID 134393571
2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
CID 134599464
2-chloro-6-[3-(dispiro[2.0.24.13]heptan-7-ylmethoxy)pyrazol-1-yl]-N-(2-methylphenyl)sulfonylpyridine-3-carboxamide
CID 134393481
2-chloro-N-(3-fluorophenyl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134393477
2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide
CID 159366215
4-[[2-chloro-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-1-methylpyrazole-3-carboxylic acid
CID 152533956
2-chloro-N-(2-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134398827

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide (CID 134398714) is N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide is COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3)c(Cl)n2)n1.
What is the InChIKey of N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is IANBRANAHDXMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O4S/c1-25-14-9-10-21(19-14)13-8-7-12(15(17)18-13)16(22)20-26(23,24)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,22).
What are the key properties of N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide?
N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 392.82 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-chloro-6-(3-methoxypyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 134398714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).