benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid

C70H53Cl4F12N15O16S3 — CID 158531702

IUPACbenzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1.O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl.O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@H]3C[C@H]3C(F)(F)F)n2)nc1Cl.O=C(O)c1ccc(-n2ccc(O[C@@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl.O=C(O)c1ccc(-n2ccc(O[C@H]3C[C@H]3C(F)(F)F)n2)nc1Cl
InChIInChI=1S/2C19H14ClF3N4O4S.2C13H9ClF3N3O3.C6H7NO2S/c2*20-17-12(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;2*14-11-6(12(21)22)1-2-9(18-11)20-4-3-10(19-20)23-8-5-7(8)13(15,16)17;7-10(8,9)6-4-2-1-3-5-6/h2*1-9,13-14H,10H2,(H,26,28);2*1-4,7-8H,5H2,(H,21,22);1-5H,(H2,7,8,9)/t2*13-,14+;2*7-,8+;/m1010./s1
InChIKeyHNLJXEODJBLGJZ-DCLDLNDQSA-N
MW1826.27 g/mol
LogP12.97
Rot. Bonds21

About benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid

benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 158531702) has the molecular formula C70H53Cl4F12N15O16S3 and a molecular weight of 1826.27 g/mol. Its IUPAC name is benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namebenzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID158531702
Molecular FormulaC70H53Cl4F12N15O16S3
Molecular Weight1826.27 g/mol
Exact Mass1823.15
IUPAC Namebenzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccccc1.O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl.O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@H]3C[C@H]3C(F)(F)F)n2)nc1Cl.O=C(O)c1ccc(-n2ccc(O[C@@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl.O=C(O)c1ccc(-n2ccc(O[C@H]3C[C@H]3C(F)(F)F)n2)nc1Cl
InChIInChI=1S/2C19H14ClF3N4O4S.2C13H9ClF3N3O3.C6H7NO2S/c2*20-17-12(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;2*14-11-6(12(21)22)1-2-9(18-11)20-4-3-10(19-20)23-8-5-7(8)13(15,16)17;7-10(8,9)6-4-2-1-3-5-6/h2*1-9,13-14H,10H2,(H,26,28);2*1-4,7-8H,5H2,(H,21,22);1-5H,(H2,7,8,9)/t2*13-,14+;2*7-,8+;/m1010./s1
InChIKeyHNLJXEODJBLGJZ-DCLDLNDQSA-N
XLogP12.97
TPSA421.00 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms120
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.27
LogP ≤ 512.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid (CID 158531702) is benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid is NS(=O)(=O)c1ccccc1.O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl.O=C(NS(=O)(=O)c1ccccc1)c1ccc(-n2ccc(O[C@H]3C[C@H]3C(F)(F)F)n2)nc1Cl.O=C(O)c1ccc(-n2ccc(O[C@@H]3C[C@@H]3C(F)(F)F)n2)nc1Cl.O=C(O)c1ccc(-n2ccc(O[C@H]3C[C@H]3C(F)(F)F)n2)nc1Cl.
What is the InChIKey of benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is HNLJXEODJBLGJZ-DCLDLNDQSA-N. The full InChI is InChI=1S/2C19H14ClF3N4O4S.2C13H9ClF3N3O3.C6H7NO2S/c2*20-17-12(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;2*14-11-6(12(21)22)1-2-9(18-11)20-4-3-10(19-20)23-8-5-7(8)13(15,16)17;7-10(8,9)6-4-2-1-3-5-6/h2*1-9,13-14H,10H2,(H,26,28);2*1-4,7-8H,5H2,(H,21,22);1-5H,(H2,7,8,9)/t2*13-,14+;2*7-,8+;/m1010./s1.
What are the key properties of benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid?
benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 1826.27 g/mol, XLogP of 12.97, 21 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;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;2-chloro-6-[3-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid;2-chloro-6-[3-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxypyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 158531702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).