4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid

C16H23NO5S — CID 154782398

IUPAC4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid
SMILESCC(O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H23NO5S/c1-12(18)11-17(14-5-3-2-4-6-14)23(21,22)15-9-7-13(8-10-15)16(19)20/h7-10,12,14,18H,2-6,11H2,1H3,(H,19,20)
InChIKeyBFOSWOJYRIHJJZ-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.09
Rot. Bonds6

About 4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid

4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid (PubChem CID 154782398) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid
PubChem CID154782398
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid
SMILESCC(O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C16H23NO5S/c1-12(18)11-17(14-5-3-2-4-6-14)23(21,22)15-9-7-13(8-10-15)16(19)20/h7-10,12,14,18H,2-6,11H2,1H3,(H,19,20)
InChIKeyBFOSWOJYRIHJJZ-UHFFFAOYSA-N
XLogP2.09
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 136517168
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
4-[cyclohexyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43107449
4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
CID 60952032
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
N-[(2R)-2-chloro-2-(4-methylphenyl)ethyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 155937368
N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 78982767
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide
CID 10222783
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid (CID 154782398) is 4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid is CC(O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid?
The InChIKey is BFOSWOJYRIHJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-12(18)11-17(14-5-3-2-4-6-14)23(21,22)15-9-7-13(8-10-15)16(19)20/h7-10,12,14,18H,2-6,11H2,1H3,(H,19,20).
What are the key properties of 4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid?
4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid has a molecular weight of 341.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 154782398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).