2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid

C14H16N2O5S — CID 53270897

IUPAC2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)C2=C(C(=O)O)CCCC2)cc1
InChIInChI=1S/C14H16N2O5S/c15-22(20,21)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8H,1-4H2,(H,16,17)(H,18,19)(H2,15,20,21)
InChIKeyYLNDTKHJAFFHDN-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.23
Rot. Bonds4

About 2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid

2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid (PubChem CID 53270897) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
PubChem CID53270897
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC(=O)C2=C(C(=O)O)CCCC2)cc1
InChIInChI=1S/C14H16N2O5S/c15-22(20,21)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8H,1-4H2,(H,16,17)(H,18,19)(H2,15,20,21)
InChIKeyYLNDTKHJAFFHDN-UHFFFAOYSA-N
XLogP1.23
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
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CID 26654878
N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 9034844
N-(4-sulfamoylphenyl)piperidine-1-carbothioamide
CID 19653686
N-(4-sulfamoylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146376
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 68838847
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683

Frequently Asked Questions

What is the IUPAC name of 2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid?
The IUPAC name of 2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid (CID 53270897) is 2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid is NS(=O)(=O)c1ccc(NC(=O)C2=C(C(=O)O)CCCC2)cc1.
What is the InChIKey of 2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid?
The InChIKey is YLNDTKHJAFFHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c15-22(20,21)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8H,1-4H2,(H,16,17)(H,18,19)(H2,15,20,21).
What are the key properties of 2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid?
2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid has a molecular weight of 324.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 53270897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).