N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide

C13H16N4O2S — CID 61000504

IUPACN-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NCc1cn[nH]c1
InChIInChI=1S/C13H16N4O2S/c18-20(19,17-11-5-6-11)13-4-2-1-3-12(13)14-7-10-8-15-16-9-10/h1-4,8-9,11,14,17H,5-7H2,(H,15,16)
InChIKeyOXXUVCSQJHOUBG-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.46
Rot. Bonds6

About N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide

N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide (PubChem CID 61000504) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
PubChem CID61000504
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NCc1cn[nH]c1
InChIInChI=1S/C13H16N4O2S/c18-20(19,17-11-5-6-11)13-4-2-1-3-12(13)14-7-10-8-15-16-9-10/h1-4,8-9,11,14,17H,5-7H2,(H,15,16)
InChIKeyOXXUVCSQJHOUBG-UHFFFAOYSA-N
XLogP1.46
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(furan-2-ylmethylamino)benzenesulfonamide
CID 43454645
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
2-[2-(cyclopropylsulfamoyl)anilino]ethyl carbamate
CID 83204510
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
2-[(3-amino-4-methoxybutyl)amino]-N-cyclopropylbenzenesulfonamide
CID 106244439
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide (CID 61000504) is N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide is O=S(=O)(NC1CC1)c1ccccc1NCc1cn[nH]c1.
What is the InChIKey of N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
The InChIKey is OXXUVCSQJHOUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-20(19,17-11-5-6-11)13-4-2-1-3-12(13)14-7-10-8-15-16-9-10/h1-4,8-9,11,14,17H,5-7H2,(H,15,16).
What are the key properties of N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide?
N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 61000504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).