3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide

C11H8ClF4N3O2S — CID 166234835

IUPAC3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1cccc(Cl)c1F
InChIInChI=1S/C11H8ClF4N3O2S/c12-7-2-1-3-8(10(7)13)22(20,21)18-9-4-5-19(17-9)6-11(14,15)16/h1-5H,6H2,(H,17,18)
InChIKeyXQMPNMIWFLVABG-UHFFFAOYSA-N
MW357.72 g/mol
LogP3.04
Rot. Bonds4

About 3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide

3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 166234835) has the molecular formula C11H8ClF4N3O2S and a molecular weight of 357.72 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID166234835
Molecular FormulaC11H8ClF4N3O2S
Molecular Weight357.72 g/mol
Exact Mass357.00
IUPAC Name3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1cccc(Cl)c1F
InChIInChI=1S/C11H8ClF4N3O2S/c12-7-2-1-3-8(10(7)13)22(20,21)18-9-4-5-19(17-9)6-11(14,15)16/h1-5H,6H2,(H,17,18)
InChIKeyXQMPNMIWFLVABG-UHFFFAOYSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
4-chloro-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 3601935
3-chloro-2-methyl-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808894
2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808931
4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 25335240
3,5-dichloro-N-(1-phenyl-1H-pyrazol-3-yl)benzene-1-sulfonamide
CID 25501843
2,4-difluoro-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 53618798
4-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 100614196
6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 100636255
3-chloro-2-fluoro-N-(1-methyl-1H-pyrazol-3-yl)benzene-1-sulfonamide
CID 60531983
N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808912

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide (CID 166234835) is 3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is XQMPNMIWFLVABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4N3O2S/c12-7-2-1-3-8(10(7)13)22(20,21)18-9-4-5-19(17-9)6-11(14,15)16/h1-5H,6H2,(H,17,18).
What are the key properties of 3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide?
3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 357.72 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 166234835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).