5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

C11H18ClN3O4S3 — CID 110397622

IUPAC5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3O4S3/c1-21(16,17)15-8-6-14(7-9-15)5-4-13-22(18,19)11-3-2-10(12)20-11/h2-3,13H,4-9H2,1H3
InChIKeyIZTMHNWMSRKGRX-UHFFFAOYSA-N
MW387.94 g/mol
LogP0.26
Rot. Bonds6

About 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110397622) has the molecular formula C11H18ClN3O4S3 and a molecular weight of 387.94 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110397622
Molecular FormulaC11H18ClN3O4S3
Molecular Weight387.94 g/mol
Exact Mass387.01
IUPAC Name5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3O4S3/c1-21(16,17)15-8-6-14(7-9-15)5-4-13-22(18,19)11-3-2-10(12)20-11/h2-3,13H,4-9H2,1H3
InChIKeyIZTMHNWMSRKGRX-UHFFFAOYSA-N
XLogP0.26
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide 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

5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide
CID 60568052
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 47812632
5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide
CID 75467486
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 42268041
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-propylbenzenesulfonamide
CID 47812603
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-chloro-N-[2-(3-methylmorpholin-4-yl)sulfonylethyl]thiophene-2-sulfonamide
CID 110345680
5-chloro-N-[2-(4-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
CID 133451579
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 20947489
5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide
CID 71793725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 110397622) is 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is IZTMHNWMSRKGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O4S3/c1-21(16,17)15-8-6-14(7-9-15)5-4-13-22(18,19)11-3-2-10(12)20-11/h2-3,13H,4-9H2,1H3.
What are the key properties of 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 387.94 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110397622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).