3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide

C15H24N2O3S — CID 115327411

IUPAC3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NCCCCC(C)C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-11(2)6-4-5-7-17-15(18)13-8-12(3)9-14(10-13)21(16,19)20/h8-11H,4-7H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyOMGGGCSEGAOGSW-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.20
Rot. Bonds7

About 3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide

3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide (PubChem CID 115327411) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide
PubChem CID115327411
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NCCCCC(C)C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-11(2)6-4-5-7-17-15(18)13-8-12(3)9-14(10-13)21(16,19)20/h8-11H,4-7H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyOMGGGCSEGAOGSW-UHFFFAOYSA-N
XLogP2.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide
CID 65386747
3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide
CID 114265071
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 65386461
4-methylpentyl 3-methyl-5-sulfamoylbenzoate
CID 65380672
2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide
CID 115326819
N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388918
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
3-(5-methylhexylcarbamoyl)benzenesulfonyl chloride
CID 113287469
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
3-amino-5-iodo-N-(5-methylhexyl)benzamide
CID 112750898

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide (CID 115327411) is 3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide is Cc1cc(C(=O)NCCCCC(C)C)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide?
The InChIKey is OMGGGCSEGAOGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)6-4-5-7-17-15(18)13-8-12(3)9-14(10-13)21(16,19)20/h8-11H,4-7H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide?
3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 115327411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).