2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide

C12H16F2N2O3S — CID 133219380

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C12H16F2N2O3S/c1-8(12(17)15(2)3)16(20(4,18)19)9-5-6-10(13)11(14)7-9/h5-8H,1-4H3
InChIKeyHSTDNHXVKXZLDM-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.21
Rot. Bonds4

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide (PubChem CID 133219380) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
PubChem CID133219380
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C12H16F2N2O3S/c1-8(12(17)15(2)3)16(20(4,18)19)9-5-6-10(13)11(14)7-9/h5-8H,1-4H3
InChIKeyHSTDNHXVKXZLDM-UHFFFAOYSA-N
XLogP1.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethyl-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 5227443
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)propanamide
CID 53285610
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-pentan-3-ylpropanamide
CID 99132743
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 133228169
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 40635196
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 99132712
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 99131983
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 99131979
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125080118

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide (CID 133219380) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
The InChIKey is HSTDNHXVKXZLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-8(12(17)15(2)3)16(20(4,18)19)9-5-6-10(13)11(14)7-9/h5-8H,1-4H3.
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide has a molecular weight of 306.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 133219380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).