4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide

C13H15ClN2O2S2 — CID 106048712

IUPAC4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H15ClN2O2S2/c1-15-20(17,18)12-5-2-10(3-6-12)16-9-8-11-4-7-13(14)19-11/h2-7,15-16H,8-9H2,1H3
InChIKeyKXEUEHRSTDCPON-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.96
Rot. Bonds6

About 4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide

4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 106048712) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
PubChem CID106048712
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCc2ccc(Cl)s2)cc1
InChIInChI=1S/C13H15ClN2O2S2/c1-15-20(17,18)12-5-2-10(3-6-12)16-9-8-11-4-7-13(14)19-11/h2-7,15-16H,8-9H2,1H3
InChIKeyKXEUEHRSTDCPON-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

2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048719
N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 43453843
4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 61380564
3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 43688458
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
CID 106037251
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 39756672
5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 4802431
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
CID 102846283
4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 79420418
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835
4-(6-hydroxyhexylamino)-N-methylbenzenesulfonamide
CID 107848765

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide (CID 106048712) is 4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCc2ccc(Cl)s2)cc1.
What is the InChIKey of 4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is KXEUEHRSTDCPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-15-20(17,18)12-5-2-10(3-6-12)16-9-8-11-4-7-13(14)19-11/h2-7,15-16H,8-9H2,1H3.
What are the key properties of 4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide?
4-[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 4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106048712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).