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

C12H16F2N2O3S — CID 65387884

IUPAC2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
SMILESCCC(C)CNC(=O)c1c(F)ccc(S(N)(=O)=O)c1F
InChIInChI=1S/C12H16F2N2O3S/c1-3-7(2)6-16-12(17)10-8(13)4-5-9(11(10)14)20(15,18)19/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyVCZRUXAJPXGVFC-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.39
Rot. Bonds5

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

2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide (PubChem CID 65387884) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
PubChem CID65387884
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
SMILESCCC(C)CNC(=O)c1c(F)ccc(S(N)(=O)=O)c1F
InChIInChI=1S/C12H16F2N2O3S/c1-3-7(2)6-16-12(17)10-8(13)4-5-9(11(10)14)20(15,18)19/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyVCZRUXAJPXGVFC-UHFFFAOYSA-N
XLogP1.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 63932441
N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
CID 63374555
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62091869
2-methylpentyl 2,6-difluoro-3-sulfamoylbenzoate
CID 103286218
4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388652
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide
CID 139319313
3-bromo-2,6-difluoro-N-(2-methylpropyl)benzamide
CID 83405802
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
5-methyl-N-(2-methylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 112676814
2,4-difluoro-3-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65370851
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide?
The IUPAC name of 2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide (CID 65387884) is 2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide is CCC(C)CNC(=O)c1c(F)ccc(S(N)(=O)=O)c1F.
What is the InChIKey of 2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide?
The InChIKey is VCZRUXAJPXGVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-3-7(2)6-16-12(17)10-8(13)4-5-9(11(10)14)20(15,18)19/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide?
2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide has a molecular weight of 306.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65387884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).