2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide

C13H15ClN2O2S2 — CID 106069862

IUPAC2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
SMILESCCNCc1ccc(Cl)c(S(=O)(=O)Nc2ccsc2)c1
InChIInChI=1S/C13H15ClN2O2S2/c1-2-15-8-10-3-4-12(14)13(7-10)20(17,18)16-11-5-6-19-9-11/h3-7,9,15-16H,2,8H2,1H3
InChIKeyQMMQXFDSOMEDEC-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.31
Rot. Bonds6

About 2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide

2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 106069862) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
PubChem CID106069862
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
SMILESCCNCc1ccc(Cl)c(S(=O)(=O)Nc2ccsc2)c1
InChIInChI=1S/C13H15ClN2O2S2/c1-2-15-8-10-3-4-12(14)13(7-10)20(17,18)16-11-5-6-19-9-11/h3-7,9,15-16H,2,8H2,1H3
InChIKeyQMMQXFDSOMEDEC-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 106069990
2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide
CID 106069936
2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049907
3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
CID 106070171
N-[(3-chloro-4-methylphenyl)methyl]thiophen-3-amine
CID 106816916
2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065187
2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
CID 106070165
2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106060611
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354828
N-[[4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]methyl]ethanamine
CID 114414130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide (CID 106069862) is 2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide is CCNCc1ccc(Cl)c(S(=O)(=O)Nc2ccsc2)c1.
What is the InChIKey of 2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is QMMQXFDSOMEDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-2-15-8-10-3-4-12(14)13(7-10)20(17,18)16-11-5-6-19-9-11/h3-7,9,15-16H,2,8H2,1H3.
What are the key properties of 2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide?
2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 106069862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).