(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide

C11H13F2NO3S — CID 149392141

IUPAC(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide
SMILESC[C@@H](CC(F)F)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13F2NO3S/c1-8(7-10(12)13)11(15)14-18(16,17)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyYNSWCBSOXIVMLV-QMMMGPOBSA-N
MW277.29 g/mol
LogP1.78
Rot. Bonds5

About (2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide

(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide (PubChem CID 149392141) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is (2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide
PubChem CID149392141
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide
SMILESC[C@@H](CC(F)F)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13F2NO3S/c1-8(7-10(12)13)11(15)14-18(16,17)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyYNSWCBSOXIVMLV-QMMMGPOBSA-N
XLogP1.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-2,2-dichloroacetamide
CID 3778605
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
(2S)-N-(benzenesulfonyl)-2-bromopentanamide
CID 7035642
2-methyl-3-phenyl-N-pyridin-3-ylsulfonylpropanamide
CID 59892161
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
CID 96524563
ethyl 2-amino-3-(benzenesulfonamido)-3-oxopropanoate
CID 103308934
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
methyl N-(benzenesulfonyl)carbamate
CID 676519
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide?
The IUPAC name of (2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide (CID 149392141) is (2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide.
What is the SMILES notation for (2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide?
The canonical SMILES for (2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide is C[C@@H](CC(F)F)C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide?
The InChIKey is YNSWCBSOXIVMLV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c1-8(7-10(12)13)11(15)14-18(16,17)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide?
(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide has a molecular weight of 277.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide is sourced from PubChem (CID 149392141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).