1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine

C15H12FN3O2S — CID 2986590

IUPAC1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccccc2)cc1-c1cccc(F)c1
InChIInChI=1S/C15H12FN3O2S/c16-12-6-4-5-11(9-12)14-10-19(18-15(14)17)22(20,21)13-7-2-1-3-8-13/h1-10H,(H2,17,18)
InChIKeyMTIIBZAJCYZSLJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.51
Rot. Bonds3

About 1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine

1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine (PubChem CID 2986590) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine
PubChem CID2986590
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine
SMILESNc1nn(S(=O)(=O)c2ccccc2)cc1-c1cccc(F)c1
InChIInChI=1S/C15H12FN3O2S/c16-12-6-4-5-11(9-12)14-10-19(18-15(14)17)22(20,21)13-7-2-1-3-8-13/h1-10H,(H2,17,18)
InChIKeyMTIIBZAJCYZSLJ-UHFFFAOYSA-N
XLogP2.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine
CID 935379
2-(4-Fluorophenyl)sulfonyl-5-phenyl-3-pyrazolamine
CID 9550503
1-(Benzenesulfonyl)-4-(4-nitrophenyl)pyrazol-3-amine
CID 935053
4-(3-nitrophenyl)-1-(phenylsulfonyl)-1H-pyrazol-3-amine
CID 935381
4-(4-methylphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-amine
CID 1256527
3-Amino-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-4-carbonitrile
CID 172437274
3-(3-Fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-5-amine
CID 20873602
3-(3-fluorophenyl)-1-(phenylsulfonyl)-1H-pyrazol-5-amine
CID 20873604
1-(4-Bromophenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 2236864
N-tosyl-4-phenylpyrazole
CID 11254999
1-(Benzenesulfonyl)-4-(4-fluoro-3-methylphenyl)pyrazol-3-amine
CID 935662
1-(Benzenesulfonyl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 972834

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine?
The IUPAC name of 1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine (CID 2986590) is 1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine is Nc1nn(S(=O)(=O)c2ccccc2)cc1-c1cccc(F)c1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine?
The InChIKey is MTIIBZAJCYZSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-12-6-4-5-11(9-12)14-10-19(18-15(14)17)22(20,21)13-7-2-1-3-8-13/h1-10H,(H2,17,18).
What are the key properties of 1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine?
1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine has a molecular weight of 317.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(3-fluorophenyl)pyrazol-3-amine is sourced from PubChem (CID 2986590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).