4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid

C10H14ClNO4S2 — CID 106033208

IUPAC4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S2/c11-9-4-3-8(17-9)5-6-12-18(15,16)7-1-2-10(13)14/h3-4,12H,1-2,5-7H2,(H,13,14)
InChIKeyVDXASIHMJTXBCP-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.73
Rot. Bonds8

About 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid

4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid (PubChem CID 106033208) has the molecular formula C10H14ClNO4S2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid
PubChem CID106033208
Molecular FormulaC10H14ClNO4S2
Molecular Weight311.81 g/mol
Exact Mass311.01
IUPAC Name4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO4S2/c11-9-4-3-8(17-9)5-6-12-18(15,16)7-1-2-10(13)14/h3-4,12H,1-2,5-7H2,(H,13,14)
InChIKeyVDXASIHMJTXBCP-UHFFFAOYSA-N
XLogP1.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid 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

3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
CID 106041745
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114142728
2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid
CID 73356503
6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid
CID 54875156
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
3-[4-(5-chlorothiophen-2-yl)butylcarbamoylamino]propanoic acid
CID 122013691
4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid
CID 106003812
3-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 106044682
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid?
The IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid (CID 106033208) is 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid?
The InChIKey is VDXASIHMJTXBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S2/c11-9-4-3-8(17-9)5-6-12-18(15,16)7-1-2-10(13)14/h3-4,12H,1-2,5-7H2,(H,13,14).
What are the key properties of 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid?
4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid has a molecular weight of 311.81 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid is sourced from PubChem (CID 106033208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).