4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C14H19NO5S — CID 60808728

IUPAC4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C14H19NO5S/c1-20-12-6-8-13(9-7-12)21(18,19)15-11-4-2-10(3-5-11)14(16)17/h6-11,15H,2-5H2,1H3,(H,16,17)
InChIKeyRWBHKWVEABUCTM-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.62
Rot. Bonds5

About 4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 60808728) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID60808728
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C14H19NO5S/c1-20-12-6-8-13(9-7-12)21(18,19)15-11-4-2-10(3-5-11)14(16)17/h6-11,15H,2-5H2,1H3,(H,16,17)
InChIKeyRWBHKWVEABUCTM-UHFFFAOYSA-N
XLogP1.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
3-[(4-methoxyphenyl)sulfonylamino]azetidine-1-carboxamide
CID 146023038
4-[[3-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122101413
3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030163
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
N-[4-(2,4-dihydroxyphenyl)cyclohexyl]-4-methoxybenzenesulfonamide
CID 10199598
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
4-(cyclopropylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 17496941

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 60808728) is 4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is COc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RWBHKWVEABUCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-20-12-6-8-13(9-7-12)21(18,19)15-11-4-2-10(3-5-11)14(16)17/h6-11,15H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).