2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide

C13H20N2O3S — CID 62692492

IUPAC2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-4-9(2)8-15-13(16)12-7-11(19(14,17)18)6-5-10(12)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyUKHLZJNVFNOCCP-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.42
Rot. Bonds5

About 2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide

2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide (PubChem CID 62692492) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
PubChem CID62692492
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-4-9(2)8-15-13(16)12-7-11(19(14,17)18)6-5-10(12)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyUKHLZJNVFNOCCP-UHFFFAOYSA-N
XLogP1.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
N-(2-methoxy-2-phenylethyl)-2-methyl-5-sulfamoylbenzamide
CID 51097768
N-[(2R)-2-methoxy-2-phenylethyl]-2-methyl-5-sulfamoylbenzamide
CID 94815936
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
CID 47441864
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
CID 83029859
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide (CID 62692492) is 2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide is CCC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of 2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The InChIKey is UKHLZJNVFNOCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-9(2)8-15-13(16)12-7-11(19(14,17)18)6-5-10(12)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide?
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide has a molecular weight of 284.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 62692492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).