4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide

C13H20ClN3O2S — CID 6489209

IUPAC4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1c(Cl)cccc1N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-11-12(14)5-4-6-13(11)16-7-9-17(10-8-16)20(18,19)15(2)3/h4-6H,7-10H2,1-3H3
InChIKeyOLNMVIIFAGROOZ-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.58
Rot. Bonds3

About 4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 6489209) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID6489209
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCc1c(Cl)cccc1N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-11-12(14)5-4-6-13(11)16-7-9-17(10-8-16)20(18,19)15(2)3/h4-6H,7-10H2,1-3H3
InChIKeyOLNMVIIFAGROOZ-UHFFFAOYSA-N
XLogP1.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide 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-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 6489209) is 4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide is Cc1c(Cl)cccc1N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is OLNMVIIFAGROOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-11-12(14)5-4-6-13(11)16-7-9-17(10-8-16)20(18,19)15(2)3/h4-6H,7-10H2,1-3H3.
What are the key properties of 4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 6489209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).