2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide

C13H18F2N2O3S — CID 63932441

IUPAC2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
SMILESCCC(C)CN(C)C(=O)c1c(F)ccc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H18F2N2O3S/c1-4-8(2)7-17(3)13(18)11-9(14)5-6-10(12(11)15)21(16,19)20/h5-6,8H,4,7H2,1-3H3,(H2,16,19,20)
InChIKeySUWAYQIIJKIWQO-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.73
Rot. Bonds5

About 2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide

2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide (PubChem CID 63932441) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
PubChem CID63932441
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
SMILESCCC(C)CN(C)C(=O)c1c(F)ccc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H18F2N2O3S/c1-4-8(2)7-17(3)13(18)11-9(14)5-6-10(12(11)15)21(16,19)20/h5-6,8H,4,7H2,1-3H3,(H2,16,19,20)
InChIKeySUWAYQIIJKIWQO-UHFFFAOYSA-N
XLogP1.73
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
CID 63374555
2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387884
N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide
CID 65454692
4-bromo-2-fluoro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388350
2,5-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387583
2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide
CID 63374883
2-methylpentyl 2,6-difluoro-3-sulfamoylbenzoate
CID 103286218
N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 79472536
N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
CID 63374918
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65387965
methyl 3-[(2,6-difluoro-3-methylbenzoyl)-methylamino]-2-methylpropanoate
CID 82815569

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide?
The IUPAC name of 2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide (CID 63932441) is 2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide is CCC(C)CN(C)C(=O)c1c(F)ccc(S(N)(=O)=O)c1F.
What is the InChIKey of 2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide?
The InChIKey is SUWAYQIIJKIWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-4-8(2)7-17(3)13(18)11-9(14)5-6-10(12(11)15)21(16,19)20/h5-6,8H,4,7H2,1-3H3,(H2,16,19,20).
What are the key properties of 2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide?
2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide has a molecular weight of 320.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 63932441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).