2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid

C10H11ClN2O5S — CID 61454806

IUPAC2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O5S/c1-5(10(15)16)19(17,18)13-6-2-3-7(9(12)14)8(11)4-6/h2-5,13H,1H3,(H2,12,14)(H,15,16)
InChIKeyHQHXSHDXOQJZDA-UHFFFAOYSA-N
MW306.73 g/mol
LogP0.65
Rot. Bonds5

About 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid

2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid (PubChem CID 61454806) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
PubChem CID61454806
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC Name2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O5S/c1-5(10(15)16)19(17,18)13-6-2-3-7(9(12)14)8(11)4-6/h2-5,13H,1H3,(H2,12,14)(H,15,16)
InChIKeyHQHXSHDXOQJZDA-UHFFFAOYSA-N
XLogP0.65
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic 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

2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643
2-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 61455322
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61454443
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid
CID 55153736
methyl 4-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]butanoate
CID 61460424
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61457742
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
2-[(3-methylsulfanylphenyl)sulfamoyl]propanoic acid
CID 54947268
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
CID 33007137

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid (CID 61454806) is 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid?
The InChIKey is HQHXSHDXOQJZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S/c1-5(10(15)16)19(17,18)13-6-2-3-7(9(12)14)8(11)4-6/h2-5,13H,1H3,(H2,12,14)(H,15,16).
What are the key properties of 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid?
2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid has a molecular weight of 306.73 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61454806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).