sodium 4-(cyclohexylsulfamoyl)benzoate

C13H16NNaO4S — CID 122705986

IUPACsodium 4-(cyclohexylsulfamoyl)benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)NC2CCCCC2)cc1.[Na+]
InChIInChI=1S/C13H17NO4S.Na/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11;/h6-9,11,14H,1-5H2,(H,15,16);/q;+1/p-1
InChIKeyMLHFBDVMTRIQMW-UHFFFAOYSA-M
MW305.33 g/mol
LogP-2.33
Rot. Bonds4

About sodium 4-(cyclohexylsulfamoyl)benzoate

sodium 4-(cyclohexylsulfamoyl)benzoate (PubChem CID 122705986) has the molecular formula C13H16NNaO4S and a molecular weight of 305.33 g/mol. Its IUPAC name is sodium 4-(cyclohexylsulfamoyl)benzoate.

Molecular Properties

Compound Namesodium 4-(cyclohexylsulfamoyl)benzoate
PubChem CID122705986
Molecular FormulaC13H16NNaO4S
Molecular Weight305.33 g/mol
Exact Mass305.07
IUPAC Namesodium 4-(cyclohexylsulfamoyl)benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)NC2CCCCC2)cc1.[Na+]
InChIInChI=1S/C13H17NO4S.Na/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11;/h6-9,11,14H,1-5H2,(H,15,16);/q;+1/p-1
InChIKeyMLHFBDVMTRIQMW-UHFFFAOYSA-M
XLogP-2.33
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
CID 6981857
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
4-(cyclohexylsulfamoyl)-N-pentylbenzamide
CID 109059553
4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 109061209
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
4-(cycloheptylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 109059992

Frequently Asked Questions

What is the IUPAC name of sodium 4-(cyclohexylsulfamoyl)benzoate?
The IUPAC name of sodium 4-(cyclohexylsulfamoyl)benzoate (CID 122705986) is sodium 4-(cyclohexylsulfamoyl)benzoate.
What is the SMILES notation for sodium 4-(cyclohexylsulfamoyl)benzoate?
The canonical SMILES for sodium 4-(cyclohexylsulfamoyl)benzoate is O=C([O-])c1ccc(S(=O)(=O)NC2CCCCC2)cc1.[Na+].
What is the InChIKey of sodium 4-(cyclohexylsulfamoyl)benzoate?
The InChIKey is MLHFBDVMTRIQMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17NO4S.Na/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11;/h6-9,11,14H,1-5H2,(H,15,16);/q;+1/p-1.
What are the key properties of sodium 4-(cyclohexylsulfamoyl)benzoate?
sodium 4-(cyclohexylsulfamoyl)benzoate has a molecular weight of 305.33 g/mol, XLogP of -2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(cyclohexylsulfamoyl)benzoate is sourced from PubChem (CID 122705986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).