(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide

C11H14F2N2O3S — CID 133429366

IUPAC(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H14F2N2O3S/c1-7(10(16)14-2)15-8-3-5-9(6-4-8)19(17,18)11(12)13/h3-7,11,15H,1-2H3,(H,14,16)/t7-/m1/s1
InChIKeyWLYPHSCTMSZLGB-SSDOTTSWSA-N
MW292.31 g/mol
LogP1.23
Rot. Bonds5

About (2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide

(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide (PubChem CID 133429366) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is (2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide
PubChem CID133429366
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H14F2N2O3S/c1-7(10(16)14-2)15-8-3-5-9(6-4-8)19(17,18)11(12)13/h3-7,11,15H,1-2H3,(H,14,16)/t7-/m1/s1
InChIKeyWLYPHSCTMSZLGB-SSDOTTSWSA-N
XLogP1.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
CID 43455286
N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
CID 47301190
N-but-3-yn-2-yl-4-(difluoromethylsulfonyl)aniline
CID 114382952
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
2-[4-(difluoromethylsulfonyl)anilino]-2-methylpropanoic acid
CID 61262117
2-(4-tert-butylanilino)-N-methylpropanamide
CID 43085951
2-(4-acetylanilino)-N-methylpropanamide
CID 115573414
4-(difluoromethylsulfonyl)-N-heptan-4-ylaniline
CID 43683888
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
2-amino-N-[4-(difluoromethylsulfonyl)phenyl]-3,3-dimethylbutanamide
CID 76887895
2-(azetidin-3-yl)-N-[4-(difluoromethylsulfonyl)phenyl]propanamide
CID 116675283
2-(4-carbamothioylanilino)-N-methylpropanamide
CID 61467405

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide (CID 133429366) is (2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide is CNC(=O)[C@@H](C)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of (2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide?
The InChIKey is WLYPHSCTMSZLGB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-7(10(16)14-2)15-8-3-5-9(6-4-8)19(17,18)11(12)13/h3-7,11,15H,1-2H3,(H,14,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide?
(2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide has a molecular weight of 292.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(difluoromethylsulfonyl)anilino]-N-methylpropanamide is sourced from PubChem (CID 133429366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).