3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide

C14H16ClN3O3S — CID 42109665

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C14H16ClN3O3S/c1-10-9-13(18(2)17-10)16-14(19)7-8-22(20,21)12-5-3-11(15)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyCDNJCHZOFYLDTM-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.18
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide (PubChem CID 42109665) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
PubChem CID42109665
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C14H16ClN3O3S/c1-10-9-13(18(2)17-10)16-14(19)7-8-22(20,21)12-5-3-11(15)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyCDNJCHZOFYLDTM-UHFFFAOYSA-N
XLogP2.18
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide 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 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide (CID 42109665) is 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide is Cc1cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide?
The InChIKey is CDNJCHZOFYLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-10-9-13(18(2)17-10)16-14(19)7-8-22(20,21)12-5-3-11(15)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide has a molecular weight of 341.82 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)propanamide is sourced from PubChem (CID 42109665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).