3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide

C13H14ClNO3S2 — CID 90584031

IUPAC3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc(Cl)c1)c1ccsc1
InChIInChI=1S/C13H14ClNO3S2/c1-18-13(10-5-6-19-9-10)8-15-20(16,17)12-4-2-3-11(14)7-12/h2-7,9,13,15H,8H2,1H3
InChIKeyMITIUTASVBIGLL-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.07
Rot. Bonds6

About 3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide

3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 90584031) has the molecular formula C13H14ClNO3S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID90584031
Molecular FormulaC13H14ClNO3S2
Molecular Weight331.85 g/mol
Exact Mass331.01
IUPAC Name3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc(Cl)c1)c1ccsc1
InChIInChI=1S/C13H14ClNO3S2/c1-18-13(10-5-6-19-9-10)8-15-20(16,17)12-4-2-3-11(14)7-12/h2-7,9,13,15H,8H2,1H3
InChIKeyMITIUTASVBIGLL-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
CID 90584057
N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 90584021
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 97414483
4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584060
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
CID 71804782
2,4-dichloro-N-(2-methoxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 90584085
2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 97427133
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
methyl 3-[(3-chlorophenyl)sulfonylamino]-2-iodopropanoate
CID 103493655

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide (CID 90584031) is 3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide is COC(CNS(=O)(=O)c1cccc(Cl)c1)c1ccsc1.
What is the InChIKey of 3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is MITIUTASVBIGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S2/c1-18-13(10-5-6-19-9-10)8-15-20(16,17)12-4-2-3-11(14)7-12/h2-7,9,13,15H,8H2,1H3.
What are the key properties of 3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 331.85 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90584031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).