2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide

C13H15ClN2O2S2 — CID 106048719

IUPAC2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCCc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-15-20(17,18)12-5-3-2-4-11(12)16-9-8-10-6-7-13(14)19-10/h2-7,15-16H,8-9H2,1H3
InChIKeyWWJWHQSSMVAAMN-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.96
Rot. Bonds6

About 2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide

2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 106048719) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
PubChem CID106048719
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCCc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-15-20(17,18)12-5-3-2-4-11(12)16-9-8-10-6-7-13(14)19-10/h2-7,15-16H,8-9H2,1H3
InChIKeyWWJWHQSSMVAAMN-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
CID 102846283
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfonyl)aniline
CID 103656020
4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048712
2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43454307
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
N-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 43743995
2-(6-aminohexylamino)-N-methylbenzenesulfonamide
CID 107845260
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide
CID 43454301
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide (CID 106048719) is 2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCCc1ccc(Cl)s1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is WWJWHQSSMVAAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-15-20(17,18)12-5-3-2-4-11(12)16-9-8-10-6-7-13(14)19-10/h2-7,15-16H,8-9H2,1H3.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106048719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).