2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide

C15H24N2O3S — CID 115326819

IUPAC2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide
SMILESCc1cc(S(N)(=O)=O)ccc1C(=O)NCCCCC(C)C
InChIInChI=1S/C15H24N2O3S/c1-11(2)6-4-5-9-17-15(18)14-8-7-13(10-12(14)3)21(16,19)20/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyLDXSMPUKVCXJQF-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.20
Rot. Bonds7

About 2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide

2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide (PubChem CID 115326819) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide
PubChem CID115326819
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide
SMILESCc1cc(S(N)(=O)=O)ccc1C(=O)NCCCCC(C)C
InChIInChI=1S/C15H24N2O3S/c1-11(2)6-4-5-9-17-15(18)14-8-7-13(10-12(14)3)21(16,19)20/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyLDXSMPUKVCXJQF-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

4-hydrazinyl-2-methyl-N-(7-methyloctyl)benzamide
CID 107818129
2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 63228100
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920
3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide
CID 115327411
3-fluoro-4-(5-methylhexylcarbamoyl)benzenesulfonyl chloride
CID 115325505
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
N-but-3-yn-2-yl-2-methyl-4-sulfamoylbenzamide
CID 114418677
2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide
CID 65042610
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide (CID 115326819) is 2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide is Cc1cc(S(N)(=O)=O)ccc1C(=O)NCCCCC(C)C.
What is the InChIKey of 2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide?
The InChIKey is LDXSMPUKVCXJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)6-4-5-9-17-15(18)14-8-7-13(10-12(14)3)21(16,19)20/h7-8,10-11H,4-6,9H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide?
2-methyl-N-(5-methylhexyl)-4-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 2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 115326819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).