3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide

C13H14ClN3O3S — CID 4130859

IUPAC3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C13H14ClN3O3S/c1-9-8-12(17-16-9)15-13(18)6-7-21(19,20)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H2,15,16,17,18)
InChIKeyIZXNTGKSEOJIOY-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.17
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 4130859) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID4130859
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C13H14ClN3O3S/c1-9-8-12(17-16-9)15-13(18)6-7-21(19,20)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H2,15,16,17,18)
InChIKeyIZXNTGKSEOJIOY-UHFFFAOYSA-N
XLogP2.17
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 4130859) is 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide is Cc1cc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is IZXNTGKSEOJIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-9-8-12(17-16-9)15-13(18)6-7-21(19,20)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 327.79 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 4130859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).