3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide

C13H18N2O3S — CID 114265071

IUPAC3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide
SMILESC=CCCCNC(=O)c1cc(C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N2O3S/c1-3-4-5-6-15-13(16)11-7-10(2)8-12(9-11)19(14,17)18/h3,7-9H,1,4-6H2,2H3,(H,15,16)(H2,14,17,18)
InChIKeyOQWFRXKODVCKEB-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.34
Rot. Bonds6

About 3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide

3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide (PubChem CID 114265071) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide
PubChem CID114265071
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide
SMILESC=CCCCNC(=O)c1cc(C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N2O3S/c1-3-4-5-6-15-13(16)11-7-10(2)8-12(9-11)19(14,17)18/h3,7-9H,1,4-6H2,2H3,(H,15,16)(H2,14,17,18)
InChIKeyOQWFRXKODVCKEB-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide
CID 115327411
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 65386461
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
3-bromo-N-(2-prop-2-enylsulfanylethyl)-5-sulfamoylbenzamide
CID 106432212
3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide
CID 65386747
N-butyl-3,5-dimethylbenzamide
CID 17190927
N-(2-methoxyethyl)-3-methylsulfonyl-5-sulfamoylbenzamide
CID 65375749
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-sulfamoylbenzamide
CID 110678052

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide?
The IUPAC name of 3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide (CID 114265071) is 3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide is C=CCCCNC(=O)c1cc(C)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide?
The InChIKey is OQWFRXKODVCKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-4-5-6-15-13(16)11-7-10(2)8-12(9-11)19(14,17)18/h3,7-9H,1,4-6H2,2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide?
3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide has a molecular weight of 282.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide is sourced from PubChem (CID 114265071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).