2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide

C13H16N4O3S — CID 102692658

IUPAC2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C13H16N4O3S/c1-9(2)13(18)15-10-4-3-5-11(8-10)17-21(19,20)12-6-7-14-16-12/h3-9,17H,1-2H3,(H,14,16)(H,15,18)
InChIKeySFVYJZVQDOZVRT-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide

2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide (PubChem CID 102692658) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide
PubChem CID102692658
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C13H16N4O3S/c1-9(2)13(18)15-10-4-3-5-11(8-10)17-21(19,20)12-6-7-14-16-12/h3-9,17H,1-2H3,(H,14,16)(H,15,18)
InChIKeySFVYJZVQDOZVRT-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide 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-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
N-(3-chlorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691568
N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691736
N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691960
3-[4-(1H-pyrazol-5-ylsulfonylamino)phenyl]butanoic acid
CID 102690958
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691585
N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
CID 102691239
2-chloro-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
CID 102691039
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide (CID 102692658) is 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide is CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccn[nH]2)c1.
What is the InChIKey of 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide?
The InChIKey is SFVYJZVQDOZVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-9(2)13(18)15-10-4-3-5-11(8-10)17-21(19,20)12-6-7-14-16-12/h3-9,17H,1-2H3,(H,14,16)(H,15,18).
What are the key properties of 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide?
2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide has a molecular weight of 308.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 102692658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).