2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C13H14ClNO3S2 — CID 110758795

IUPAC2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccs2)c(Cl)c1
InChIInChI=1S/C13H14ClNO3S2/c1-18-10-4-5-13(12(14)9-10)20(16,17)15-7-6-11-3-2-8-19-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyXLQOQIBSUUMLPI-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.93
Rot. Bonds6

About 2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide

2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 110758795) has the molecular formula C13H14ClNO3S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID110758795
Molecular FormulaC13H14ClNO3S2
Molecular Weight331.85 g/mol
Exact Mass331.01
IUPAC Name2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccs2)c(Cl)c1
InChIInChI=1S/C13H14ClNO3S2/c1-18-10-4-5-13(12(14)9-10)20(16,17)15-7-6-11-3-2-8-19-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyXLQOQIBSUUMLPI-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
N-butyl-2-chloro-4-methoxybenzenesulfonamide
CID 110758761
3-chloro-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 21110298
2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758706
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
4-methoxy-2-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323250
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
N-[4,5-dichloro-2-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57382707
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 110758795) is 2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cccs2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is XLQOQIBSUUMLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S2/c1-18-10-4-5-13(12(14)9-10)20(16,17)15-7-6-11-3-2-8-19-11/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 331.85 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110758795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).