5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide

C11H18ClN3O2S2 — CID 103100358

IUPAC5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCNCC2)sc1Cl
InChIInChI=1S/C11H18ClN3O2S2/c1-9-8-10(18-11(9)12)19(16,17)14-4-7-15-5-2-13-3-6-15/h8,13-14H,2-7H2,1H3
InChIKeySLMGHAWRSBJTPG-UHFFFAOYSA-N
MW323.87 g/mol
LogP0.89
Rot. Bonds5

About 5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide

5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 103100358) has the molecular formula C11H18ClN3O2S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID103100358
Molecular FormulaC11H18ClN3O2S2
Molecular Weight323.87 g/mol
Exact Mass323.05
IUPAC Name5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCNCC2)sc1Cl
InChIInChI=1S/C11H18ClN3O2S2/c1-9-8-10(18-11(9)12)19(16,17)14-4-7-15-5-2-13-3-6-15/h8,13-14H,2-7H2,1H3
InChIKeySLMGHAWRSBJTPG-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide
CID 128586351
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 103100529
5-chloro-4-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 103100386
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide;dihydrochloride
CID 119966296
2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
CID 122565353
5-chloro-4-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 120710051
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
2,6-dichloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999799
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide (CID 103100358) is 5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCN2CCNCC2)sc1Cl.
What is the InChIKey of 5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is SLMGHAWRSBJTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S2/c1-9-8-10(18-11(9)12)19(16,17)14-4-7-15-5-2-13-3-6-15/h8,13-14H,2-7H2,1H3.
What are the key properties of 5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 323.87 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 103100358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).