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

C16H22N2O5S — CID 3947885

IUPAC2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O5S/c1-18(2)24(22,23)12-9-7-11(8-10-12)17-15(19)13-5-3-4-6-14(13)16(20)21/h7-10,13-14H,3-6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyWKVSUBSULOUWMU-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.77
Rot. Bonds5

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

2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 3947885) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID3947885
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
InChIInChI=1S/C16H22N2O5S/c1-18(2)24(22,23)12-9-7-11(8-10-12)17-15(19)13-5-3-4-6-14(13)16(20)21/h7-10,13-14H,3-6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyWKVSUBSULOUWMU-UHFFFAOYSA-N
XLogP1.77
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2303628
cis-(1S,2R)-2-[[4-(dimethylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41097683
2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2967476
2-[[4-(phenylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 5165386
cis-(1R,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1015007
cis-(1S,2R)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11839068
trans-(1S,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51570846
(1S)-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738317
(1S)-2-[[4-[acetyl(methyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738320
cis-(1R,2S)-2-[[4-[acetyl(methyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 675757
2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3158623
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 3947885) is 2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WKVSUBSULOUWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-18(2)24(22,23)12-9-7-11(8-10-12)17-15(19)13-5-3-4-6-14(13)16(20)21/h7-10,13-14H,3-6H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3947885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).