N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide

C12H16F2N2O3S — CID 63374555

IUPACN-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
SMILESCCC(C)N(C)C(=O)c1c(F)ccc(S(N)(=O)=O)c1F
InChIInChI=1S/C12H16F2N2O3S/c1-4-7(2)16(3)12(17)10-8(13)5-6-9(11(10)14)20(15,18)19/h5-7H,4H2,1-3H3,(H2,15,18,19)
InChIKeyGRYVHUGKJXWTTB-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.48
Rot. Bonds4

About N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide

N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide (PubChem CID 63374555) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
PubChem CID63374555
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC NameN-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
SMILESCCC(C)N(C)C(=O)c1c(F)ccc(S(N)(=O)=O)c1F
InChIInChI=1S/C12H16F2N2O3S/c1-4-7(2)16(3)12(17)10-8(13)5-6-9(11(10)14)20(15,18)19/h5-7H,4H2,1-3H3,(H2,15,18,19)
InChIKeyGRYVHUGKJXWTTB-UHFFFAOYSA-N
XLogP1.48
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 63932441
2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387884
N-butan-2-yl-N-methyl-2-sulfamoylbenzamide
CID 43273244
N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
CID 63374918
2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide
CID 63374883
N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide
CID 113426493
4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65386993
2-methylpentyl 2,6-difluoro-3-sulfamoylbenzoate
CID 103286218
N-butan-2-yl-3-fluoro-4-methoxy-N-methyl-5-sulfamoylbenzamide
CID 65388145
N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
CID 107689068
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide
CID 82814886
2,6-difluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62091869

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide (CID 63374555) is N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide is CCC(C)N(C)C(=O)c1c(F)ccc(S(N)(=O)=O)c1F.
What is the InChIKey of N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide?
The InChIKey is GRYVHUGKJXWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-4-7(2)16(3)12(17)10-8(13)5-6-9(11(10)14)20(15,18)19/h5-7H,4H2,1-3H3,(H2,15,18,19).
What are the key properties of N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide?
N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide has a molecular weight of 306.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 63374555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).