N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

C17H22N4O3S — CID 119055427

IUPACN-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cn1
InChIInChI=1S/C17H22N4O3S/c1-13(2)21-12-15(11-18-21)19-25(23,24)16-7-5-14(6-8-16)17(22)20-9-3-4-10-20/h5-8,11-13,19H,3-4,9-10H2,1-2H3
InChIKeyIIZQJOVSVBTAMS-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.50
Rot. Bonds5

About N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 119055427) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID119055427
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cn1
InChIInChI=1S/C17H22N4O3S/c1-13(2)21-12-15(11-18-21)19-25(23,24)16-7-5-14(6-8-16)17(22)20-9-3-4-10-20/h5-8,11-13,19H,3-4,9-10H2,1-2H3
InChIKeyIIZQJOVSVBTAMS-UHFFFAOYSA-N
XLogP2.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)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-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055344
6-amino-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-sulfonamide
CID 62903961
1-ethyl-N-[4-(piperidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 22203721
methyl 3-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]benzoate
CID 86812919
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 119055427) is N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is CC(C)n1cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cn1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is IIZQJOVSVBTAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-13(2)21-12-15(11-18-21)19-25(23,24)16-7-5-14(6-8-16)17(22)20-9-3-4-10-20/h5-8,11-13,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 362.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119055427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).