4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C15H20N2O5S — CID 120672451

IUPAC4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)Cc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C15H20N2O5S/c16-23(21,22)9-10-1-7-13(8-2-10)17-14(18)11-3-5-12(6-4-11)15(19)20/h1-2,7-8,11-12H,3-6,9H2,(H,17,18)(H,19,20)(H2,16,21,22)
InChIKeyIBQOCJHJJFDGFX-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.30
Rot. Bonds5

About 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672451) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672451
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)Cc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C15H20N2O5S/c16-23(21,22)9-10-1-7-13(8-2-10)17-14(18)11-3-5-12(6-4-11)15(19)20/h1-2,7-8,11-12H,3-6,9H2,(H,17,18)(H,19,20)(H2,16,21,22)
InChIKeyIBQOCJHJJFDGFX-UHFFFAOYSA-N
XLogP1.30
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic 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

(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 25498236
4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788351
4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673196
N-[4-(sulfamoylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161755
2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 60867551
2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride
CID 119701886
N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119277760
1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide
CID 55626981
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
2-methyl-3-oxo-3-[4-(sulfamoylmethyl)anilino]propanoic acid
CID 114898086

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672451) is 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is NS(=O)(=O)Cc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is IBQOCJHJJFDGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c16-23(21,22)9-10-1-7-13(8-2-10)17-14(18)11-3-5-12(6-4-11)15(19)20/h1-2,7-8,11-12H,3-6,9H2,(H,17,18)(H,19,20)(H2,16,21,22).
What are the key properties of 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).