5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid

C13H12ClNO4S2 — CID 61027372

IUPAC5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H12ClNO4S2/c14-10-3-1-9(2-4-10)7-8-15-21(18,19)12-6-5-11(20-12)13(16)17/h1-6,15H,7-8H2,(H,16,17)
InChIKeyQOFHYLLMUAZTMG-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.62
Rot. Bonds6

About 5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid

5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61027372) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61027372
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC Name5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H12ClNO4S2/c14-10-3-1-9(2-4-10)7-8-15-21(18,19)12-6-5-11(20-12)13(16)17/h1-6,15H,7-8H2,(H,16,17)
InChIKeyQOFHYLLMUAZTMG-UHFFFAOYSA-N
XLogP2.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
5-[[2-(4-chlorophenyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 20890227
5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 53124370
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
5-[2-[cyclopropyl(methyl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62976488
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61462775
5-(4-propan-2-yloxybutylsulfamoyl)thiophene-2-carboxylic acid
CID 106003735

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 61027372) is 5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QOFHYLLMUAZTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c14-10-3-1-9(2-4-10)7-8-15-21(18,19)12-6-5-11(20-12)13(16)17/h1-6,15H,7-8H2,(H,16,17).
What are the key properties of 5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid?
5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 345.83 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61027372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).