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

C15H20N2O5S — CID 788631

IUPAC1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C15H20N2O5S/c1-11(18)16-12-5-7-13(8-6-12)23(21,22)17-15(14(19)20)9-3-2-4-10-15/h5-8,17H,2-4,9-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyHGDSNYCKWLKVMM-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.71
Rot. Bonds5

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

1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 788631) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID788631
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C15H20N2O5S/c1-11(18)16-12-5-7-13(8-6-12)23(21,22)17-15(14(19)20)9-3-2-4-10-15/h5-8,17H,2-4,9-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyHGDSNYCKWLKVMM-UHFFFAOYSA-N
XLogP1.71
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-(Acetylamino)phenyl)sulfonyl)-2-piperidinecarboxylic acid
CID 2770165
4-(Valproylamido)Benzenesulfonamide
CID 10266719
2-(4-Acetylamino-benzenesulfonylamino)-butyric acid
CID 540360
3-({4-[(Acetylamino)sulfonyl]anilino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3679306
N-(((4-Benzoylamino)phenyl)sulfonyl)glycine
CID 130998
1-(4-Acetylamino-benzenesulfonyl)-piperidine-4-carboxylic acid
CID 788623
2-ethyl-N-(4-sulfamoylphenyl)hexanamide
CID 5223338
(R)-2-(4-Benzoylamino-benzenesulfonylamino)-3-phenyl-propionic acid
CID 10574340
(R)-2-(4-Benzoylamino-benzenesulfonylamino)-3-methyl-butyric acid
CID 10595685
(R)-2-[4-(4-Methyl-benzoylamino)-benzenesulfonylamino]-3-phenyl-propionic acid
CID 10812918
3-((4-Sulfamoylphenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3133135
3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 673507

Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 788631) is 1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid is CC(=O)Nc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HGDSNYCKWLKVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-11(18)16-12-5-7-13(8-6-12)23(21,22)17-15(14(19)20)9-3-2-4-10-15/h5-8,17H,2-4,9-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetamidophenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 788631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).