2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide

C12H16F2N2O3S — CID 119315948

IUPAC2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1
InChIInChI=1S/C12H16F2N2O3S/c1-2-4-10(15)11(17)16-8-5-3-6-9(7-8)20(18,19)12(13)14/h3,5-7,10,12H,2,4,15H2,1H3,(H,16,17)
InChIKeyCDAYZQVCTQDHCZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.75
Rot. Bonds6

About 2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide

2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide (PubChem CID 119315948) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide
PubChem CID119315948
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1
InChIInChI=1S/C12H16F2N2O3S/c1-2-4-10(15)11(17)16-8-5-3-6-9(7-8)20(18,19)12(13)14/h3,5-7,10,12H,2,4,15H2,1H3,(H,16,17)
InChIKeyCDAYZQVCTQDHCZ-UHFFFAOYSA-N
XLogP1.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
CID 60854034
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide
CID 119315938
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
2-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pentanamide
CID 119876362
4-amino-5-(3-methylsulfonylanilino)-5-oxopentanoic acid
CID 64888717
(2R)-2-amino-4-methylsulfanyl-N-(3-sulfamoylphenyl)butanamide
CID 104906786

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide (CID 119315948) is 2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide is CCCC(N)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1.
What is the InChIKey of 2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide?
The InChIKey is CDAYZQVCTQDHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-2-4-10(15)11(17)16-8-5-3-6-9(7-8)20(18,19)12(13)14/h3,5-7,10,12H,2,4,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide?
2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide has a molecular weight of 306.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide is sourced from PubChem (CID 119315948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).