4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide

C13H13ClN2O3S2 — CID 20900804

IUPAC4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H13ClN2O3S2/c14-10-3-1-9(2-4-10)5-6-16-21(18,19)11-7-12(13(15)17)20-8-11/h1-4,7-8,16H,5-6H2,(H2,15,17)
InChIKeyQESYPWYGHVFYCH-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.02
Rot. Bonds6

About 4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide

4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide (PubChem CID 20900804) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide
PubChem CID20900804
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC Name4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H13ClN2O3S2/c14-10-3-1-9(2-4-10)5-6-16-21(18,19)11-7-12(13(15)17)20-8-11/h1-4,7-8,16H,5-6H2,(H2,15,17)
InChIKeyQESYPWYGHVFYCH-UHFFFAOYSA-N
XLogP2.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
3-[(3,4-Dichlorobenzyl)sulfanyl]-N-(Methylsulfonyl)thiophene-2-Carboxamide
CID 54751676
4-(Benzylsulfamoyl)thiophene-2-carboxamide
CID 6486045
4-{[(2-Phenylethyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 6486061
4-{[(2-Methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16025119
2,4-dichloro-N-thiophen-2-ylsulfonylbenzamide
CID 22019471
4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675193
4-{[(3-Phenylpropyl)amino]sulfonyl}thiophene-2-carboxamide
CID 20900815
4-{[2-(4-Sulfamoylphenyl)ethyl]sulfamoyl}thiophene-2-carboxamide
CID 20937288
2,4-dichloro-N-(4-chlorothiophen-2-yl)sulfonylbenzohydrazide
CID 44391209
2,4-dichloro-N-(4-methylthiophen-2-yl)sulfonylbenzohydrazide
CID 44391245
5-Chloro-thiophene-2-sulfonic acid benzoylamide
CID 753810

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide (CID 20900804) is 4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is QESYPWYGHVFYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c14-10-3-1-9(2-4-10)5-6-16-21(18,19)11-7-12(13(15)17)20-8-11/h1-4,7-8,16H,5-6H2,(H2,15,17).
What are the key properties of 4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide?
4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20900804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).