4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid

C15H21NO4S — CID 891394

IUPAC4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H21NO4S/c1-2-16(13-6-4-3-5-7-13)21(19,20)14-10-8-12(9-11-14)15(17)18/h8-11,13H,2-7H2,1H3,(H,17,18)
InChIKeySXNGLXQRKKUUIA-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.73
Rot. Bonds5

About 4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid

4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid (PubChem CID 891394) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid
PubChem CID891394
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H21NO4S/c1-2-16(13-6-4-3-5-7-13)21(19,20)14-10-8-12(9-11-14)15(17)18/h8-11,13H,2-7H2,1H3,(H,17,18)
InChIKeySXNGLXQRKKUUIA-UHFFFAOYSA-N
XLogP2.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Probenecid
CID 4911
4-((Diethylamino)sulfonyl)benzoic acid
CID 14604
4-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 763651
3-[(4-Methylpiperazin-1-yl)sulfonyl]benzoic acid
CID 1081456
4-(1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane-6-sulfonyl)-benzoic acid
CID 3705367
4-(Dimethylsulfamoyl)benzoic acid
CID 14572
Carboxytolbutamide
CID 159651
4-(Cyclopropylsulfamoyl)benzoic acid
CID 1134151
4-[(2,6-Dimethylmorpholin-4-yl)sulfonyl]benzoic acid
CID 2770973
3-[Bis(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 4280
1-(4-Acetylbenzenesulfonyl)piperidine-2-carboxylic acid
CID 3760804
4-(dibenzylsulfamoyl)benzoic Acid
CID 4552362

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid (CID 891394) is 4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid is CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid?
The InChIKey is SXNGLXQRKKUUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-2-16(13-6-4-3-5-7-13)21(19,20)14-10-8-12(9-11-14)15(17)18/h8-11,13H,2-7H2,1H3,(H,17,18).
What are the key properties of 4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid?
4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 891394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).