N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide

C10H11F2NO3S — CID 47271271

IUPACN-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO3S/c1-6(2)10(14)13-17(15,16)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H,13,14)
InChIKeyGQDKMOUTSHJHKX-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.43
Rot. Bonds3

About N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide

N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 47271271) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
PubChem CID47271271
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC NameN-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO3S/c1-6(2)10(14)13-17(15,16)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H,13,14)
InChIKeyGQDKMOUTSHJHKX-UHFFFAOYSA-N
XLogP1.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
N'-(3,4-difluorophenyl)sulfonylacetohydrazide
CID 8500703
(2S)-N-[3-fluoro-4-(propan-2-ylsulfonylamino)phenyl]sulfonyl-2-methylbutanamide
CID 97246904
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
N-(1-bromopropan-2-yl)-3,4-difluorobenzenesulfonamide
CID 114294366
N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
CID 114419126
2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263772
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
methyl 2-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404938
5-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683500
3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide
CID 82715795

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide (CID 47271271) is N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide is CC(C)C(=O)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is GQDKMOUTSHJHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-6(2)10(14)13-17(15,16)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H,13,14).
What are the key properties of N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide?
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 263.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 47271271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).