5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid

C17H26N2O4S — CID 99982225

IUPAC5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C17H26N2O4S/c1-3-12(2)19-24(22,23)14-9-10-16(15(11-14)17(20)21)18-13-7-5-4-6-8-13/h9-13,18-19H,3-8H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyUHBXVVFJNSQCJE-LBPRGKRZSA-N
MW354.47 g/mol
LogP3.21
Rot. Bonds7

About 5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid

5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid (PubChem CID 99982225) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid.

Molecular Properties

Compound Name5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
PubChem CID99982225
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
SMILESCC[C@H](C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C17H26N2O4S/c1-3-12(2)19-24(22,23)14-9-10-16(15(11-14)17(20)21)18-13-7-5-4-6-8-13/h9-13,18-19H,3-8H2,1-2H3,(H,20,21)/t12-/m0/s1
InChIKeyUHBXVVFJNSQCJE-LBPRGKRZSA-N
XLogP3.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
CID 99981604
3-[[(2S)-butan-2-yl]sulfamoyl]-4-(cyclohexylamino)benzoic acid
CID 99977841
2-(cyclohexylamino)-5-sulfamoylbenzoic acid
CID 43322683
5-(benzylsulfamoyl)-2-(cyclohexylamino)benzoic acid
CID 99984246
5-(cycloheptylsulfamoyl)-2-(2-methylpropylamino)benzoic acid
CID 99983217
5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid
CID 99982166
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid
CID 103962627
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(3-propan-2-yloxypropylamino)benzoic acid
CID 99982395
5-[[(2R)-butan-2-yl]sulfamoyl]-2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 99982228

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid?
The IUPAC name of 5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid (CID 99982225) is 5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid.
What is the SMILES notation for 5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid?
The canonical SMILES for 5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid is CC[C@H](C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid?
The InChIKey is UHBXVVFJNSQCJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-12(2)19-24(22,23)14-9-10-16(15(11-14)17(20)21)18-13-7-5-4-6-8-13/h9-13,18-19H,3-8H2,1-2H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid?
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid has a molecular weight of 354.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid is sourced from PubChem (CID 99982225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).