3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

C11H9FN4O2S — CID 63288203

IUPAC3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NCc2ccn[nH]2)ccc1F
InChIInChI=1S/C11H9FN4O2S/c12-11-2-1-10(5-8(11)6-13)19(17,18)15-7-9-3-4-14-16-9/h1-5,15H,7H2,(H,14,16)
InChIKeyYEYSJTOFRZQYEV-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.90
Rot. Bonds4

About 3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 63288203) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
PubChem CID63288203
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC Name3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NCc2ccn[nH]2)ccc1F
InChIInChI=1S/C11H9FN4O2S/c12-11-2-1-10(5-8(11)6-13)19(17,18)15-7-9-3-4-14-16-9/h1-5,15H,7H2,(H,14,16)
InChIKeyYEYSJTOFRZQYEV-UHFFFAOYSA-N
XLogP0.90
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1H-pyrazol-5-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 53590861
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 53604317
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 53605180
N-[(4-bromo-1H-pyrazol-5-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
CID 53622736
3-cyano-N-(2-methylprop-2-enyl)-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 84594117
3-cyano-N-(1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 43532756
1-(4-Fluoro-3-methylphenyl)sulfonyl-3-methylpyrazole
CID 1094931
2-fluoro-5-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 47062850
N-(5-methyl-1H-pyrazol-4-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 47092052
3-fluoro-4-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 56716593
N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 126833471
1-(3-fluoro-4-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanesulfonamide
CID 127266285

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (CID 63288203) is 3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)NCc2ccn[nH]2)ccc1F.
What is the InChIKey of 3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is YEYSJTOFRZQYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2S/c12-11-2-1-10(5-8(11)6-13)19(17,18)15-7-9-3-4-14-16-9/h1-5,15H,7H2,(H,14,16).
What are the key properties of 3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 280.28 g/mol, XLogP of 0.90, 4 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-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63288203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).