2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C10H11FN4O2S — CID 113433428

IUPAC2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C10H11FN4O2S/c1-6-5-13-14-10(6)15-18(16,17)9-4-7(11)2-3-8(9)12/h2-5H,12H2,1H3,(H2,13,14,15)
InChIKeyMVGMAKBYBYTFOE-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.24
Rot. Bonds3

About 2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 113433428) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID113433428
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C10H11FN4O2S/c1-6-5-13-14-10(6)15-18(16,17)9-4-7(11)2-3-8(9)12/h2-5H,12H2,1H3,(H2,13,14,15)
InChIKeyMVGMAKBYBYTFOE-UHFFFAOYSA-N
XLogP1.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.24
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

2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433424
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
5-amino-2-fluoro-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617116
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
CID 60986095
N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3698750
2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide
CID 104617145
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
2,4,6-trifluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691498
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 113433428) is 2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is Cc1cn[nH]c1NS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is MVGMAKBYBYTFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-6-5-13-14-10(6)15-18(16,17)9-4-7(11)2-3-8(9)12/h2-5H,12H2,1H3,(H2,13,14,15).
What are the key properties of 2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 113433428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).