5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid

C14H19NO5S — CID 43091618

IUPAC5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCCCC2)ccc1O
InChIInChI=1S/C14H19NO5S/c16-13-7-6-11(8-12(13)14(17)18)21(19,20)15-9-10-4-2-1-3-5-10/h6-8,10,15-16H,1-5,9H2,(H,17,18)
InChIKeyLFDMGSYPAHAVRX-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.95
Rot. Bonds5

About 5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid

5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid (PubChem CID 43091618) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
PubChem CID43091618
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCCCC2)ccc1O
InChIInChI=1S/C14H19NO5S/c16-13-7-6-11(8-12(13)14(17)18)21(19,20)15-9-10-4-2-1-3-5-10/h6-8,10,15-16H,1-5,9H2,(H,17,18)
InChIKeyLFDMGSYPAHAVRX-UHFFFAOYSA-N
XLogP1.95
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
methyl 5-(cyclohexylmethylsulfamoyl)-2-methylbenzoate
CID 100566433
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
2-hydroxy-5-[3-[3-(hydroxymethyl)piperidin-1-yl]propylsulfamoyl]benzoic acid
CID 131949145
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 60727298
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
2-N,7-N-bis(cyclobutylmethyl)-9-hydroxyiminofluorene-2,7-disulfonamide
CID 165385489
2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 172697362

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid (CID 43091618) is 5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid is O=C(O)c1cc(S(=O)(=O)NCC2CCCCC2)ccc1O.
What is the InChIKey of 5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid?
The InChIKey is LFDMGSYPAHAVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c16-13-7-6-11(8-12(13)14(17)18)21(19,20)15-9-10-4-2-1-3-5-10/h6-8,10,15-16H,1-5,9H2,(H,17,18).
What are the key properties of 5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid?
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid has a molecular weight of 313.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 43091618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).