2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide

C31H21Cl2F6IN5O7S2- — CID 159697819

IUPAC2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide
SMILESNS(=O)(=O)c1ccccc1Cl.O=C(CS(=O)(=O)c1ccccc1Cl)c1cc2cc(C(F)(F)F)ccn2n1.O=C(O)c1cc2cc(C(F)(F)F)ccn2n1.[I-]
InChIInChI=1S/C16H10ClF3N2O3S.C9H5F3N2O2.C6H6ClNO2S.HI/c17-12-3-1-2-4-15(12)26(24,25)9-14(23)13-8-11-7-10(16(18,19)20)5-6-22(11)21-13;10-9(11,12)5-1-2-14-6(3-5)4-7(13-14)8(15)16;7-5-3-1-2-4-6(5)11(8,9)10;/h1-8H,9H2;1-4H,(H,15,16);1-4H,(H2,8,9,10);1H/p-1
InChIKeyZUZFGYJBRLFSNE-UHFFFAOYSA-M
MW951.47 g/mol
LogP3.71
Rot. Bonds6

About 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide

2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide (PubChem CID 159697819) has the molecular formula C31H21Cl2F6IN5O7S2- and a molecular weight of 951.47 g/mol. Its IUPAC name is 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide.

Molecular Properties

Compound Name2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide
PubChem CID159697819
Molecular FormulaC31H21Cl2F6IN5O7S2-
Molecular Weight951.47 g/mol
Exact Mass949.92
IUPAC Name2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide
SMILESNS(=O)(=O)c1ccccc1Cl.O=C(CS(=O)(=O)c1ccccc1Cl)c1cc2cc(C(F)(F)F)ccn2n1.O=C(O)c1cc2cc(C(F)(F)F)ccn2n1.[I-]
InChIInChI=1S/C16H10ClF3N2O3S.C9H5F3N2O2.C6H6ClNO2S.HI/c17-12-3-1-2-4-15(12)26(24,25)9-14(23)13-8-11-7-10(16(18,19)20)5-6-22(11)21-13;10-9(11,12)5-1-2-14-6(3-5)4-7(13-14)8(15)16;7-5-3-1-2-4-6(5)11(8,9)10;/h1-8H,9H2;1-4H,(H,15,16);1-4H,(H2,8,9,10);1H/p-1
InChIKeyZUZFGYJBRLFSNE-UHFFFAOYSA-M
XLogP3.71
TPSA183.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500951.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide with MolForge

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Related Compounds

5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69238312
2-(2-chlorophenyl)sulfonylacetamide
CID 13345372
2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone
CID 64642512
3-chloro-4-sulfamoylbenzoic acid
CID 47003139
2-(2-chlorophenyl)sulfonyl-4-(trifluoromethyl)aniline
CID 167530215
2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3763853
N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride
CID 56978110
5-methoxypyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 69239446
benzoic acid;2,4-dichlorobenzenesulfonamide
CID 175086946
N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139452977
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
2-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049380

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide?
The IUPAC name of 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide (CID 159697819) is 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide.
What is the SMILES notation for 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide?
The canonical SMILES for 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide is NS(=O)(=O)c1ccccc1Cl.O=C(CS(=O)(=O)c1ccccc1Cl)c1cc2cc(C(F)(F)F)ccn2n1.O=C(O)c1cc2cc(C(F)(F)F)ccn2n1.[I-].
What is the InChIKey of 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide?
The InChIKey is ZUZFGYJBRLFSNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H10ClF3N2O3S.C9H5F3N2O2.C6H6ClNO2S.HI/c17-12-3-1-2-4-15(12)26(24,25)9-14(23)13-8-11-7-10(16(18,19)20)5-6-22(11)21-13;10-9(11,12)5-1-2-14-6(3-5)4-7(13-14)8(15)16;7-5-3-1-2-4-6(5)11(8,9)10;/h1-8H,9H2;1-4H,(H,15,16);1-4H,(H2,8,9,10);1H/p-1.
What are the key properties of 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide?
2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide has a molecular weight of 951.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzenesulfonamide;2-(2-chlorophenyl)sulfonyl-1-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethanone;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;iodide is sourced from PubChem (CID 159697819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).