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

C16H14FN3O2S — CID 39330217

IUPAC4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H14FN3O2S/c1-11-9-13(17)5-6-16(11)23(21,22)20-14-4-2-3-12(10-14)15-7-8-18-19-15/h2-10,20H,1H3,(H,18,19)
InChIKeyBACPTIKKRKCLJP-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.33
Rot. Bonds4

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

4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 39330217) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID39330217
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H14FN3O2S/c1-11-9-13(17)5-6-16(11)23(21,22)20-14-4-2-3-12(10-14)15-7-8-18-19-15/h2-10,20H,1H3,(H,18,19)
InChIKeyBACPTIKKRKCLJP-UHFFFAOYSA-N
XLogP3.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 47062849
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide
CID 55231822
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 103947437
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 46375065
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732621
4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 24656443
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (CID 39330217) is 4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is BACPTIKKRKCLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-11-9-13(17)5-6-16(11)23(21,22)20-14-4-2-3-12(10-14)15-7-8-18-19-15/h2-10,20H,1H3,(H,18,19).
What are the key properties of 4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 39330217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).