N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide

C18H17ClN4O3S — CID 24979955

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-13-2-5-15(6-3-13)27(25,26)9-8-18(24)22-16-10-14(19)4-7-17(16)23-12-20-11-21-23/h2-7,10-12H,8-9H2,1H3,(H,22,24)
InChIKeyKFTYLPUFOCVKND-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.03
Rot. Bonds6

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 24979955) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID24979955
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-13-2-5-15(6-3-13)27(25,26)9-8-18(24)22-16-10-14(19)4-7-17(16)23-12-20-11-21-23/h2-7,10-12H,8-9H2,1H3,(H,22,24)
InChIKeyKFTYLPUFOCVKND-UHFFFAOYSA-N
XLogP3.03
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide 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 N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide (CID 24979955) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is KFTYLPUFOCVKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-13-2-5-15(6-3-13)27(25,26)9-8-18(24)22-16-10-14(19)4-7-17(16)23-12-20-11-21-23/h2-7,10-12H,8-9H2,1H3,(H,22,24).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 404.88 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 24979955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).