4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

C14H11FN6O2S — CID 75441801

IUPAC4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCn1ccnc1-c1cc(NS(=O)(=O)c2ccc(C#N)cc2F)n[nH]1
InChIInChI=1S/C14H11FN6O2S/c1-21-5-4-17-14(21)11-7-13(19-18-11)20-24(22,23)12-3-2-9(8-16)6-10(12)15/h2-7H,1H3,(H2,18,19,20)
InChIKeySGHVPILPBGICCW-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.62
Rot. Bonds4

About 4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 75441801) has the molecular formula C14H11FN6O2S and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID75441801
Molecular FormulaC14H11FN6O2S
Molecular Weight346.35 g/mol
Exact Mass346.06
IUPAC Name4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCn1ccnc1-c1cc(NS(=O)(=O)c2ccc(C#N)cc2F)n[nH]1
InChIInChI=1S/C14H11FN6O2S/c1-21-5-4-17-14(21)11-7-13(19-18-11)20-24(22,23)12-3-2-9(8-16)6-10(12)15/h2-7H,1H3,(H2,18,19,20)
InChIKeySGHVPILPBGICCW-UHFFFAOYSA-N
XLogP1.62
TPSA116.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 116527795
4-cyano-2-fluoro-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
CID 75451074
N-[1-(4-cyanophenyl)-1,2,4-triazol-3-yl]-2-fluoro-4-methylbenzenesulfonamide
CID 75386497
N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide
CID 115744817
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
N-[(4-cyano-2-fluorophenyl)methyl]-1,2-dimethylimidazole-4-sulfonamide
CID 63359705
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616977
4-cyano-2-fluorobenzenesulfonic acid
CID 58462884
N-[(4-cyano-2-fluorophenyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 104709881
2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 61045161
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 75441801) is 4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is Cn1ccnc1-c1cc(NS(=O)(=O)c2ccc(C#N)cc2F)n[nH]1.
What is the InChIKey of 4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is SGHVPILPBGICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O2S/c1-21-5-4-17-14(21)11-7-13(19-18-11)20-24(22,23)12-3-2-9(8-16)6-10(12)15/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 346.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[5-(1-methylimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 75441801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).