5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid

C21H25NO5S — CID 118202362

IUPAC5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid
SMILESCC(c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1)C1CCCCC1
InChIInChI=1S/C21H25NO5S/c1-14(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22-28(26,27)18-11-12-20(23)19(13-18)21(24)25/h7-15,22-23H,2-6H2,1H3,(H,24,25)
InChIKeyOBVXEKWOZPKBCY-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.57
Rot. Bonds6

About 5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid

5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 118202362) has the molecular formula C21H25NO5S and a molecular weight of 403.50 g/mol. Its IUPAC name is 5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid
PubChem CID118202362
Molecular FormulaC21H25NO5S
Molecular Weight403.50 g/mol
Exact Mass403.15
IUPAC Name5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid
SMILESCC(c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1)C1CCCCC1
InChIInChI=1S/C21H25NO5S/c1-14(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22-28(26,27)18-11-12-20(23)19(13-18)21(24)25/h7-15,22-23H,2-6H2,1H3,(H,24,25)
InChIKeyOBVXEKWOZPKBCY-UHFFFAOYSA-N
XLogP4.57
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
4-(1-cyclohexylethyl)benzenesulfonic acid
CID 172833290
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618
2-hydroxy-5-[[4-(2-phenylethyl)phenyl]sulfamoyl]benzoic acid
CID 72695676
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 25037422
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid
CID 103962627
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid (CID 118202362) is 5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid is CC(c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1)C1CCCCC1.
What is the InChIKey of 5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is OBVXEKWOZPKBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5S/c1-14(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22-28(26,27)18-11-12-20(23)19(13-18)21(24)25/h7-15,22-23H,2-6H2,1H3,(H,24,25).
What are the key properties of 5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid?
5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 403.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-cyclohexylethyl)phenyl]sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 118202362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).