5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide

C16H22N2O3S — CID 2988744

IUPAC5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(N)=O
InChIInChI=1S/C16H22N2O3S/c1-12-7-8-14(11-15(12)16(17)19)22(20,21)18-10-9-13-5-3-2-4-6-13/h5,7-8,11,18H,2-4,6,9-10H2,1H3,(H2,17,19)
InChIKeyNYIOXJCINKJEJL-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.26
Rot. Bonds6

About 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide

5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide (PubChem CID 2988744) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide
PubChem CID2988744
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(N)=O
InChIInChI=1S/C16H22N2O3S/c1-12-7-8-14(11-15(12)16(17)19)22(20,21)18-10-9-13-5-3-2-4-6-13/h5,7-8,11,18H,2-4,6,9-10H2,1H3,(H2,17,19)
InChIKeyNYIOXJCINKJEJL-UHFFFAOYSA-N
XLogP2.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.26
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-(Aminosulfonyl)benzamide
CID 80563
N-methyl-4-sulfamoylbenzamide
CID 4093508
Benzamide, N-((4-methylphenyl)sulfonyl)-
CID 81439
n-Propyl-4-sulfamoylbenzamide
CID 226552
4-(4-tert-Butylphenylcarboxamidoethyl)benzenesulfonamide
CID 990581
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
2-Methyl-N-tosylbenzamide
CID 972691
3-(3,4-Dihydroisoquinolin-2(1h)-Ylsulfonyl)-N-Methylbenzamide
CID 1217101
N-Butyl 4-sulfamylbenzamide
CID 10355056
N-Pentyl 4-sulfamylbenzamide
CID 23274923
4-Sulfonamide-(1-(4-Aminobutane))Benzamide
CID 1758

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide (CID 2988744) is 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(N)=O.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide?
The InChIKey is NYIOXJCINKJEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-7-8-14(11-15(12)16(17)19)22(20,21)18-10-9-13-5-3-2-4-6-13/h5,7-8,11,18H,2-4,6,9-10H2,1H3,(H2,17,19).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide?
5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide has a molecular weight of 322.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 2988744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).