2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide

C12H16N4O2S — CID 55043588

IUPAC2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-2-7-13-11-5-3-4-6-12(11)19(17,18)16-10-8-14-15-9-10/h3-6,8-9,13,16H,2,7H2,1H3,(H,14,15)
InChIKeyKVHVWHICTHUWRM-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.03
Rot. Bonds6

About 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide

2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 55043588) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID55043588
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCCCNc1ccccc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C12H16N4O2S/c1-2-7-13-11-5-3-4-6-12(11)19(17,18)16-10-8-14-15-9-10/h3-6,8-9,13,16H,2,7H2,1H3,(H,14,15)
InChIKeyKVHVWHICTHUWRM-UHFFFAOYSA-N
XLogP2.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 55043588) is 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide is CCCNc1ccccc1S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is KVHVWHICTHUWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-2-7-13-11-5-3-4-6-12(11)19(17,18)16-10-8-14-15-9-10/h3-6,8-9,13,16H,2,7H2,1H3,(H,14,15).
What are the key properties of 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide?
2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 55043588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).