N-butyl-2-methoxy-5-sulfamoylbenzamide

C12H18N2O4S — CID 31321939

IUPACN-butyl-2-methoxy-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C12H18N2O4S/c1-3-4-7-14-12(15)10-8-9(19(13,16)17)5-6-11(10)18-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyPTOXRGGNQYBMFN-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.87
Rot. Bonds6

About N-butyl-2-methoxy-5-sulfamoylbenzamide

N-butyl-2-methoxy-5-sulfamoylbenzamide (PubChem CID 31321939) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-butyl-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butyl-2-methoxy-5-sulfamoylbenzamide
PubChem CID31321939
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-butyl-2-methoxy-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C12H18N2O4S/c1-3-4-7-14-12(15)10-8-9(19(13,16)17)5-6-11(10)18-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyPTOXRGGNQYBMFN-UHFFFAOYSA-N
XLogP0.87
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
CID 3075862
3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
CID 65398804
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methoxy-N-[(2R)-octan-2-yl]-5-sulfamoylbenzamide
CID 38280263
N-(2-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115687261
N-butyl-5-iodo-2-methoxybenzamide
CID 132553879
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 17401615
2-methoxy-5-(methylsulfamoyl)-N-propylbenzamide
CID 27260718

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-butyl-2-methoxy-5-sulfamoylbenzamide (CID 31321939) is N-butyl-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-butyl-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-butyl-2-methoxy-5-sulfamoylbenzamide is CCCCNC(=O)c1cc(S(N)(=O)=O)ccc1OC.
What is the InChIKey of N-butyl-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is PTOXRGGNQYBMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-4-7-14-12(15)10-8-9(19(13,16)17)5-6-11(10)18-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-butyl-2-methoxy-5-sulfamoylbenzamide?
N-butyl-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 31321939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).