5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide

C12H13ClN2O4S3 — CID 2098655

IUPAC5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H13ClN2O4S3/c13-11-5-6-12(20-11)22(18,19)15-8-7-9-1-3-10(4-2-9)21(14,16)17/h1-6,15H,7-8H2,(H2,14,16,17)
InChIKeyYKOOUCKVJISDHS-UHFFFAOYSA-N
MW380.90 g/mol
LogP1.57
Rot. Bonds6

About 5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 2098655) has the molecular formula C12H13ClN2O4S3 and a molecular weight of 380.90 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID2098655
Molecular FormulaC12H13ClN2O4S3
Molecular Weight380.90 g/mol
Exact Mass379.97
IUPAC Name5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H13ClN2O4S3/c13-11-5-6-12(20-11)22(18,19)15-8-7-9-1-3-10(4-2-9)21(14,16)17/h1-6,15H,7-8H2,(H2,14,16,17)
InChIKeyYKOOUCKVJISDHS-UHFFFAOYSA-N
XLogP1.57
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-N-[2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 711102
N-(2-phenylethyl)thiophene-2-sulfonamide
CID 765827
N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 846308
N-[2-(4-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 6470169
4-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518719
N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
CID 2218991
2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
CID 711867
5-Chloro-thiophene-2-sulfonic acid 4-methyl-benzylamide
CID 893794
JAR-KUA-41bd5a3d-10
CID 156906232
N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 971284
N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 5003745
5-chloro-N-[5-(propylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]thiophene-2-sulfonamide
CID 172453032

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide (CID 2098655) is 5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YKOOUCKVJISDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S3/c13-11-5-6-12(20-11)22(18,19)15-8-7-9-1-3-10(4-2-9)21(14,16)17/h1-6,15H,7-8H2,(H2,14,16,17).
What are the key properties of 5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 380.90 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2098655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).