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

C14H19NO5S — CID 974157

IUPAC1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C14H19NO5S/c1-20-11-5-7-12(8-6-11)21(18,19)15-14(13(16)17)9-3-2-4-10-14/h5-8,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyPUNONOLVCUFWTK-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.76
Rot. Bonds5

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

1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 974157) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID974157
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C14H19NO5S/c1-20-11-5-7-12(8-6-11)21(18,19)15-14(13(16)17)9-3-2-4-10-14/h5-8,15H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyPUNONOLVCUFWTK-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 22907072
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281
1-[[4-(2-methylphenoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 44669131
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932
1-[(3,4-dimethoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165222
1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172930
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
1-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312097

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 974157) is 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is COc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is PUNONOLVCUFWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-20-11-5-7-12(8-6-11)21(18,19)15-14(13(16)17)9-3-2-4-10-14/h5-8,15H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 974157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).