4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

C17H20ClN3O3S2 — CID 9181355

IUPAC4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C17H20ClN3O3S2/c1-19-26(23,24)14-2-3-16(18)15(10-14)17(22)21-7-5-20(6-8-21)11-13-4-9-25-12-13/h2-4,9-10,12,19H,5-8,11H2,1H3
InChIKeyVQSYEIRSRQPIRW-UHFFFAOYSA-N
MW413.95 g/mol
LogP2.27
Rot. Bonds5

About 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 9181355) has the molecular formula C17H20ClN3O3S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID9181355
Molecular FormulaC17H20ClN3O3S2
Molecular Weight413.95 g/mol
Exact Mass413.06
IUPAC Name4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C17H20ClN3O3S2/c1-19-26(23,24)14-2-3-16(18)15(10-14)17(22)21-7-5-20(6-8-21)11-13-4-9-25-12-13/h2-4,9-10,12,19H,5-8,11H2,1H3
InChIKeyVQSYEIRSRQPIRW-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-5-methylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181515
(2-chloro-5-methylsulfonylphenyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 78788996
4-fluoro-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 55408277
(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9182011
4-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 24643461
(E)-3-(3,4-dichlorophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 9181094
2-fluoro-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzoic acid
CID 45292563
(3-pyrrolidin-1-ylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181425
4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 34281083
(2-fluoro-4-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181646
N-[3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
CID 24643512
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 9181355) is 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccsc3)CC2)c1.
What is the InChIKey of 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is VQSYEIRSRQPIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S2/c1-19-26(23,24)14-2-3-16(18)15(10-14)17(22)21-7-5-20(6-8-21)11-13-4-9-25-12-13/h2-4,9-10,12,19H,5-8,11H2,1H3.
What are the key properties of 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 413.95 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 9181355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).