4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide

C18H24N2O3S — CID 109058268

IUPAC4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H24N2O3S/c21-18(20-16-8-9-16)15-6-10-17(11-7-15)24(22,23)19-13-12-14-4-2-1-3-5-14/h4,6-7,10-11,16,19H,1-3,5,8-9,12-13H2,(H,20,21)
InChIKeyXSJPVMSVUWWLNK-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.75
Rot. Bonds7

About 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide

4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide (PubChem CID 109058268) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide
PubChem CID109058268
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H24N2O3S/c21-18(20-16-8-9-16)15-6-10-17(11-7-15)24(22,23)19-13-12-14-4-2-1-3-5-14/h4,6-7,10-11,16,19H,1-3,5,8-9,12-13H2,(H,20,21)
InChIKeyXSJPVMSVUWWLNK-UHFFFAOYSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 109059673
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109059659
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 109059643
N-[[4-[2-(cyclohexen-1-yl)ethylsulfamoyl]phenyl]methyl]acetamide
CID 31481407
N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109059644
N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide
CID 84556978
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide (CID 109058268) is 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide?
The InChIKey is XSJPVMSVUWWLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-18(20-16-8-9-16)15-6-10-17(11-7-15)24(22,23)19-13-12-14-4-2-1-3-5-14/h4,6-7,10-11,16,19H,1-3,5,8-9,12-13H2,(H,20,21).
What are the key properties of 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide?
4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide has a molecular weight of 348.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 109058268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).