1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

C16H22N2O5S — CID 120543852

IUPAC1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-17-24(22,23)13-7-5-12(6-8-13)14(19)18-11-16(15(20)21)9-3-2-4-10-16/h5-8,17H,2-4,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyMPFRGOFVBDTBIE-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.36
Rot. Bonds6

About 1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120543852) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120543852
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C16H22N2O5S/c1-17-24(22,23)13-7-5-12(6-8-13)14(19)18-11-16(15(20)21)9-3-2-4-10-16/h5-8,17H,2-4,9-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyMPFRGOFVBDTBIE-UHFFFAOYSA-N
XLogP1.36
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544176
1-[[[4-(methylsulfonylmethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543837
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
1-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432933
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449901
1-[[[2-(4-ethylsulfonylphenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544615
1-[[[4-(trifluoromethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369259
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120543852) is 1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is CNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is MPFRGOFVBDTBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-17-24(22,23)13-7-5-12(6-8-13)14(19)18-11-16(15(20)21)9-3-2-4-10-16/h5-8,17H,2-4,9-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120543852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).