4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C16H22N2O5S — CID 120673196

IUPAC4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C16H22N2O5S/c1-2-10-7-8-13(9-14(10)24(17,22)23)18-15(19)11-3-5-12(6-4-11)16(20)21/h7-9,11-12H,2-6H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyPLUPNWSKPGYATG-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.73
Rot. Bonds5

About 4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673196) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673196
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1S(N)(=O)=O
InChIInChI=1S/C16H22N2O5S/c1-2-10-7-8-13(9-14(10)24(17,22)23)18-15(19)11-3-5-12(6-4-11)16(20)21/h7-9,11-12H,2-6H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)
InChIKeyPLUPNWSKPGYATG-UHFFFAOYSA-N
XLogP1.73
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 46809533
4-[[3-(dimethylsulfamoyl)-4-ethoxyphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672346
4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672451
1-amino-N-(4-ethyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119755602
2-[(1S)-cyclopent-2-en-1-yl]-N-(4-ethyl-3-sulfamoylphenyl)acetamide
CID 94820198
(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide
CID 119307334
2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide
CID 64823639
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954
N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 47048097
4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55363749

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 120673196) is 4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is CCc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1S(N)(=O)=O.
What is the InChIKey of 4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PLUPNWSKPGYATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-2-10-7-8-13(9-14(10)24(17,22)23)18-15(19)11-3-5-12(6-4-11)16(20)21/h7-9,11-12H,2-6H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23).
What are the key properties of 4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).