1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate

C13H12ClNO4S2 — CID 18102722

IUPAC1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate
SMILESCC(OC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1Cl
InChIInChI=1S/C13H12ClNO4S2/c1-8(10-4-2-3-5-11(10)14)19-13(16)9-6-12(20-7-9)21(15,17)18/h2-8H,1H3,(H2,15,17,18)
InChIKeyNYJKPYPROFKZDA-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate

1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate (PubChem CID 18102722) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate
PubChem CID18102722
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC Name1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate
SMILESCC(OC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1Cl
InChIInChI=1S/C13H12ClNO4S2/c1-8(10-4-2-3-5-11(10)14)19-13(16)9-6-12(20-7-9)21(15,17)18/h2-8H,1H3,(H2,15,17,18)
InChIKeyNYJKPYPROFKZDA-UHFFFAOYSA-N
XLogP2.97
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)ethyl 4-chloro-3-sulfamoylbenzoate
CID 18083132
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 46684045
[(1S)-1-(2-chlorophenyl)ethyl] 2,4-dichloro-5-sulfamoylbenzoate
CID 8762036
4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate
CID 65382673
[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 30589098
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 27936534
[(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate
CID 31395856
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209531
5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81374909
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-sulfamoylthiophene-3-carboxylate
CID 55462894
1-(2-chlorophenyl)ethyl 2-methylsulfonylbenzoate
CID 18083137

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate (CID 18102722) is 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate is CC(OC(=O)c1csc(S(N)(=O)=O)c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is NYJKPYPROFKZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c1-8(10-4-2-3-5-11(10)14)19-13(16)9-6-12(20-7-9)21(15,17)18/h2-8H,1H3,(H2,15,17,18).
What are the key properties of 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate?
1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 345.83 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 18102722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).