4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide

C16H24ClN3O3S — CID 17418789

IUPAC4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-13(2)7-8-18-16(21)19-9-11-20(12-10-19)24(22,23)15-6-4-3-5-14(15)17/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyFXBHRLFOKPEZHO-UHFFFAOYSA-N
MW373.91 g/mol
LogP2.40
Rot. Bonds5

About 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide

4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 17418789) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID17418789
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-13(2)7-8-18-16(21)19-9-11-20(12-10-19)24(22,23)15-6-4-3-5-14(15)17/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyFXBHRLFOKPEZHO-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide 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 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide (CID 17418789) is 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide is CC(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is FXBHRLFOKPEZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-13(2)7-8-18-16(21)19-9-11-20(12-10-19)24(22,23)15-6-4-3-5-14(15)17/h3-6,13H,7-12H2,1-2H3,(H,18,21).
What are the key properties of 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide?
4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 373.91 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-N-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 17418789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).