2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C16H20N2O6S — CID 3824387

IUPAC2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H20N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h6-9,13-14H,2-5H2,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeySPCVBORNGIRJOU-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.34
Rot. Bonds5

About 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 3824387) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID3824387
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H20N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h6-9,13-14H,2-5H2,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKeySPCVBORNGIRJOU-UHFFFAOYSA-N
XLogP1.34
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 3824387) is 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is SPCVBORNGIRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h6-9,13-14H,2-5H2,1H3,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 368.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3824387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).