N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide

C19H14ClF3N4O4S — CID 134393536

IUPACN-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl
InChIInChI=1S/C19H14ClF3N4O4S/c20-17-12(18(28)26-32(29,30)11-4-2-1-3-5-11)6-7-15(24-17)27-9-8-16(25-27)31-14-10-13(14)19(21,22)23/h1-9,13-14H,10H2,(H,26,28)/t13-,14-/m0/s1
InChIKeyKWNDRSGKDQYSRV-KBPBESRZSA-N
MW486.86 g/mol
LogP3.37
Rot. Bonds6

About N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide

N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 134393536) has the molecular formula C19H14ClF3N4O4S and a molecular weight of 486.86 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide
PubChem CID134393536
Molecular FormulaC19H14ClF3N4O4S
Molecular Weight486.86 g/mol
Exact Mass486.04
IUPAC NameN-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl
InChIInChI=1S/C19H14ClF3N4O4S/c20-17-12(18(28)26-32(29,30)11-4-2-1-3-5-11)6-7-15(24-17)27-9-8-16(25-27)31-14-10-13(14)19(21,22)23/h1-9,13-14H,10H2,(H,26,28)/t13-,14-/m0/s1
InChIKeyKWNDRSGKDQYSRV-KBPBESRZSA-N
XLogP3.37
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.86
LogP ≤ 53.37
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-methoxypyrazol-1-yl)pyridine-3-carboxamide
CID 134398714
dipotassium;N-(benzenesulfonyl)-2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-(benzenesulfonyl)-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydride;oxido formate;sulfane;(4S)-2,2,4-trimethylpyrrolidine
CID 158011292
2-chloro-N-[3-[2-[4-[[2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]-3-methylpyrazol-1-yl]ethyl]-1-methylpyrazol-4-yl]sulfonyl-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide
CID 155187828
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-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(1S,2R)-2-methylcyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide
CID 134599482
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
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-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134398827
4-[4-[4-[[2-chloro-6-[3-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]phenyl]butyl]-2,2-dimethylpyrrolidine-1-carboxylic acid
CID 139389205
N-(benzenesulfonyl)-6-[3-[[1-(2-fluoropropan-2-yl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 166761913
N-phenylsulfanyl-6-[3-[(2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134398820

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide (CID 134393536) is N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl.
What is the InChIKey of N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is KWNDRSGKDQYSRV-KBPBESRZSA-N. The full InChI is InChI=1S/C19H14ClF3N4O4S/c20-17-12(18(28)26-32(29,30)11-4-2-1-3-5-11)6-7-15(24-17)27-9-8-16(25-27)31-14-10-13(14)19(21,22)23/h1-9,13-14H,10H2,(H,26,28)/t13-,14-/m0/s1.
What are the key properties of N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide?
N-(benzenesulfonyl)-2-chloro-6-[3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 486.86 g/mol, XLogP of 3.37, 6 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-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134393536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).