5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid

C20H24N2O4S — CID 99984246

IUPAC5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1NC1CCCCC1
InChIInChI=1S/C20H24N2O4S/c23-20(24)18-13-17(11-12-19(18)22-16-9-5-2-6-10-16)27(25,26)21-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16,21-22H,2,5-6,9-10,14H2,(H,23,24)
InChIKeyOKYOPEAWPQBSCN-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.61
Rot. Bonds7

About 5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid

5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid (PubChem CID 99984246) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
PubChem CID99984246
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1NC1CCCCC1
InChIInChI=1S/C20H24N2O4S/c23-20(24)18-13-17(11-12-19(18)22-16-9-5-2-6-10-16)27(25,26)21-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16,21-22H,2,5-6,9-10,14H2,(H,23,24)
InChIKeyOKYOPEAWPQBSCN-UHFFFAOYSA-N
XLogP3.61
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
CID 99981604
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
CID 99982225
3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid
CID 99978998
2-(cyclohexylamino)-5-sulfamoylbenzoic acid
CID 43322683
2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 99985163
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
5-(cycloheptylsulfamoyl)-2-(2-phenylethylamino)benzoic acid
CID 99983262
5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
4-(benzylsulfamoyl)-2-fluorobenzoic acid
CID 91441664
5-(benzylsulfamoyl)-2-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99984343
N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 55585013
2-(benzylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983555

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid?
The IUPAC name of 5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid (CID 99984246) is 5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid?
The canonical SMILES for 5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1NC1CCCCC1.
What is the InChIKey of 5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid?
The InChIKey is OKYOPEAWPQBSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c23-20(24)18-13-17(11-12-19(18)22-16-9-5-2-6-10-16)27(25,26)21-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16,21-22H,2,5-6,9-10,14H2,(H,23,24).
What are the key properties of 5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid?
5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid has a molecular weight of 388.49 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid is sourced from PubChem (CID 99984246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).