3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide

C10H7FN4O2S — CID 63288126

IUPAC3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2cn[nH]c2)ccc1F
InChIInChI=1S/C10H7FN4O2S/c11-10-2-1-9(3-7(10)4-12)18(16,17)15-8-5-13-14-6-8/h1-3,5-6,15H,(H,13,14)
InChIKeyUDSKKRJBYFAVJC-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.22
Rot. Bonds3

About 3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide

3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 63288126) has the molecular formula C10H7FN4O2S and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID63288126
Molecular FormulaC10H7FN4O2S
Molecular Weight266.26 g/mol
Exact Mass266.03
IUPAC Name3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2cn[nH]c2)ccc1F
InChIInChI=1S/C10H7FN4O2S/c11-10-2-1-9(3-7(10)4-12)18(16,17)15-8-5-13-14-6-8/h1-3,5-6,15H,(H,13,14)
InChIKeyUDSKKRJBYFAVJC-UHFFFAOYSA-N
XLogP1.22
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539756
2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile
CID 125449171
3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66354770
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
4-amino-N-(3-cyano-4-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845927
N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63289103
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532785
3,5-dichloro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532761
N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-fluorobenzenesulfonamide
CID 59436522
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 63288126) is 3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2cn[nH]c2)ccc1F.
What is the InChIKey of 3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is UDSKKRJBYFAVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2S/c11-10-2-1-9(3-7(10)4-12)18(16,17)15-8-5-13-14-6-8/h1-3,5-6,15H,(H,13,14).
What are the key properties of 3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 266.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 63288126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).