3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

C16H10ClF4N3O2S — CID 60531782

IUPAC3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc(Cl)c1F
InChIInChI=1S/C16H10ClF4N3O2S/c17-11-3-1-4-14(15(11)18)27(25,26)23-12-9-10(16(19,20)21)5-6-13(12)24-8-2-7-22-24/h1-9,23H
InChIKeyHRMVSQKDNDLYQT-UHFFFAOYSA-N
MW419.79 g/mol
LogP4.48
Rot. Bonds4

About 3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 60531782) has the molecular formula C16H10ClF4N3O2S and a molecular weight of 419.79 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID60531782
Molecular FormulaC16H10ClF4N3O2S
Molecular Weight419.79 g/mol
Exact Mass419.01
IUPAC Name3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc(Cl)c1F
InChIInChI=1S/C16H10ClF4N3O2S/c17-11-3-1-4-14(15(11)18)27(25,26)23-12-9-10(16(19,20)21)5-6-13(12)24-8-2-7-22-24/h1-9,23H
InChIKeyHRMVSQKDNDLYQT-UHFFFAOYSA-N
XLogP4.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8844377
4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 8844382
methyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 26489724
1-[2-chloro-5-(trifluoromethyl)phenyl]pyrazole
CID 159868733
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 47062887
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 46616651
4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532143
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
3-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394082

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 60531782) is 3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is HRMVSQKDNDLYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4N3O2S/c17-11-3-1-4-14(15(11)18)27(25,26)23-12-9-10(16(19,20)21)5-6-13(12)24-8-2-7-22-24/h1-9,23H.
What are the key properties of 3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 419.79 g/mol, XLogP of 4.48, 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-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 60531782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).