2-(cyclohexylamino)-5-sulfamoylbenzoic acid

C13H18N2O4S — CID 43322683

IUPAC2-(cyclohexylamino)-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O4S/c14-20(18,19)10-6-7-12(11(8-10)13(16)17)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2,(H,16,17)(H2,14,18,19)
InChIKeyLSVBASVFHFHYLJ-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.78
Rot. Bonds4

About 2-(cyclohexylamino)-5-sulfamoylbenzoic acid

2-(cyclohexylamino)-5-sulfamoylbenzoic acid (PubChem CID 43322683) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(cyclohexylamino)-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-5-sulfamoylbenzoic acid
PubChem CID43322683
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-(cyclohexylamino)-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O4S/c14-20(18,19)10-6-7-12(11(8-10)13(16)17)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2,(H,16,17)(H2,14,18,19)
InChIKeyLSVBASVFHFHYLJ-UHFFFAOYSA-N
XLogP1.78
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,3-difluorocyclobutyl)amino]-5-sulfamoylbenzoic acid
CID 138002921
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
CID 99982225
5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
CID 99984246
2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
CID 99981604
4-chloro-3-(cyclohexylamino)benzenesulfonamide
CID 43745858
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
2-(cyclopentylamino)-5-formylbenzoic acid
CID 22467381
2-cyclohexylsulfanyl-5-sulfamoylbenzoic acid
CID 60872682
5-cyano-2-(cyclopentylamino)benzoic acid
CID 22467532
4-[4-sulfamoyl-2-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 122060090
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
3-acetamido-4-(cyclohexylamino)benzenesulfonic acid
CID 154273658

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-5-sulfamoylbenzoic acid?
The IUPAC name of 2-(cyclohexylamino)-5-sulfamoylbenzoic acid (CID 43322683) is 2-(cyclohexylamino)-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-(cyclohexylamino)-5-sulfamoylbenzoic acid is NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-(cyclohexylamino)-5-sulfamoylbenzoic acid?
The InChIKey is LSVBASVFHFHYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c14-20(18,19)10-6-7-12(11(8-10)13(16)17)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2,(H,16,17)(H2,14,18,19).
What are the key properties of 2-(cyclohexylamino)-5-sulfamoylbenzoic acid?
2-(cyclohexylamino)-5-sulfamoylbenzoic acid has a molecular weight of 298.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-5-sulfamoylbenzoic acid is sourced from PubChem (CID 43322683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).