N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide

C13H16N4O3S — CID 61260747

IUPACN-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O3S/c1-9(2)17-21(19,20)12-5-3-11(4-6-12)16-13(18)10-7-14-15-8-10/h3-9,17H,1-2H3,(H,14,15)(H,16,18)
InChIKeyLXDWLKOUXPAEDG-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.35
Rot. Bonds5

About N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide

N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 61260747) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID61260747
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C13H16N4O3S/c1-9(2)17-21(19,20)12-5-3-11(4-6-12)16-13(18)10-7-14-15-8-10/h3-9,17H,1-2H3,(H,14,15)(H,16,18)
InChIKeyLXDWLKOUXPAEDG-UHFFFAOYSA-N
XLogP1.35
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide 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-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 63085076
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
3-phenoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 8752814
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide (CID 61260747) is N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LXDWLKOUXPAEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-9(2)17-21(19,20)12-5-3-11(4-6-12)16-13(18)10-7-14-15-8-10/h3-9,17H,1-2H3,(H,14,15)(H,16,18).
What are the key properties of N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide?
N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61260747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).