N-hexyl-3-methyl-5-sulfamoylbenzamide

C14H22N2O3S — CID 65380984

IUPACN-hexyl-3-methyl-5-sulfamoylbenzamide
SMILESCCCCCCNC(=O)c1cc(C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-3-4-5-6-7-16-14(17)12-8-11(2)9-13(10-12)20(15,18)19/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyLZXFTRQRXZKWHG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.95
Rot. Bonds7

About N-hexyl-3-methyl-5-sulfamoylbenzamide

N-hexyl-3-methyl-5-sulfamoylbenzamide (PubChem CID 65380984) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-hexyl-3-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-hexyl-3-methyl-5-sulfamoylbenzamide
PubChem CID65380984
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-hexyl-3-methyl-5-sulfamoylbenzamide
SMILESCCCCCCNC(=O)c1cc(C)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H22N2O3S/c1-3-4-5-6-7-16-14(17)12-8-11(2)9-13(10-12)20(15,18)19/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyLZXFTRQRXZKWHG-UHFFFAOYSA-N
XLogP1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.95
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

3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
3-methyl-N-(5-methylhexyl)-5-sulfamoylbenzamide
CID 115327411
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
3-methyl-N-pent-4-enyl-5-sulfamoylbenzamide
CID 114265071
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 65386461
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
N-butyl-3,5-dimethylbenzamide
CID 17190927
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
3,5-diamino-N-hexadecylbenzamide
CID 54469516
3-bromo-N-butyl-5-methylbenzamide
CID 104851755

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-hexyl-3-methyl-5-sulfamoylbenzamide (CID 65380984) is N-hexyl-3-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-hexyl-3-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-hexyl-3-methyl-5-sulfamoylbenzamide is CCCCCCNC(=O)c1cc(C)cc(S(N)(=O)=O)c1.
What is the InChIKey of N-hexyl-3-methyl-5-sulfamoylbenzamide?
The InChIKey is LZXFTRQRXZKWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-4-5-6-7-16-14(17)12-8-11(2)9-13(10-12)20(15,18)19/h8-10H,3-7H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-hexyl-3-methyl-5-sulfamoylbenzamide?
N-hexyl-3-methyl-5-sulfamoylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65380984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).