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

C9H9FN4O2S — CID 43539756

IUPAC3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cn[nH]c2)ccc1F
InChIInChI=1S/C9H9FN4O2S/c10-8-2-1-7(3-9(8)11)17(15,16)14-6-4-12-13-5-6/h1-5,14H,11H2,(H,12,13)
InChIKeyQVBGYUAZBLRROK-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.93
Rot. Bonds3

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

3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43539756) has the molecular formula C9H9FN4O2S and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43539756
Molecular FormulaC9H9FN4O2S
Molecular Weight256.26 g/mol
Exact Mass256.04
IUPAC Name3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cn[nH]c2)ccc1F
InChIInChI=1S/C9H9FN4O2S/c10-8-2-1-7(3-9(8)11)17(15,16)14-6-4-12-13-5-6/h1-5,14H,11H2,(H,12,13)
InChIKeyQVBGYUAZBLRROK-UHFFFAOYSA-N
XLogP0.93
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 63288126
4-amino-3-nitro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540317
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
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-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
6-hydrazinyl-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 43540315
3-amino-N-(3-bromo-5-methylphenyl)-4-fluorobenzenesulfonamide
CID 107581716
3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616050
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43539756) is 3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cn[nH]c2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is QVBGYUAZBLRROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2S/c10-8-2-1-7(3-9(8)11)17(15,16)14-6-4-12-13-5-6/h1-5,14H,11H2,(H,12,13).
What are the key properties of 3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide?
3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 256.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43539756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).