cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C16H20N2O6S — CID 1272803

IUPACcis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=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)/t13-,14+/m1/s1
InChIKeySPCVBORNGIRJOU-KGLIPLIRSA-N
MW368.41 g/mol
LogP1.34
Rot. Bonds5

About cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 1272803) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID1272803
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Namecis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=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)/t13-,14+/m1/s1
InChIKeySPCVBORNGIRJOU-KGLIPLIRSA-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

Analyze cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 1272803) is cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is SPCVBORNGIRJOU-KGLIPLIRSA-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)/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1S,2R)-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 cis-(1S,2R)-2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 1272803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).