6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

C16H20N2O5S — CID 42924442

IUPAC6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)C2CC=CCC2C(=O)O)c1
InChIInChI=1S/C16H20N2O5S/c1-18(2)24(22,23)12-7-5-6-11(10-12)17-15(19)13-8-3-4-9-14(13)16(20)21/h3-7,10,13-14H,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyDEZPQPKYRKSQOI-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.54
Rot. Bonds5

About 6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 42924442) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID42924442
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)C2CC=CCC2C(=O)O)c1
InChIInChI=1S/C16H20N2O5S/c1-18(2)24(22,23)12-7-5-6-11(10-12)17-15(19)13-8-3-4-9-14(13)16(20)21/h3-7,10,13-14H,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyDEZPQPKYRKSQOI-UHFFFAOYSA-N
XLogP1.54
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 9093768
6-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 42924461
(1S,6S)-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 776384
2-[(3-methylsulfonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791259
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578
(1S,6R)-6-[[3-(tert-butylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599038
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26002873
methyl (2S)-2-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 52522731
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
trans-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020632
6-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 42935051

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 42924442) is 6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid is CN(C)S(=O)(=O)c1cccc(NC(=O)C2CC=CCC2C(=O)O)c1.
What is the InChIKey of 6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is DEZPQPKYRKSQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-18(2)24(22,23)12-7-5-6-11(10-12)17-15(19)13-8-3-4-9-14(13)16(20)21/h3-7,10,13-14H,8-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 352.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 42924442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).