(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide

C12H16F2N2O3S — CID 8801007

IUPAC(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O3S/c1-3-6-15-12(17)8(2)16-20(18,19)11-7-9(13)4-5-10(11)14/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17)/t8-/m0/s1
InChIKeyVVOLFYHWGDWEHO-QMMMGPOBSA-N
MW306.33 g/mol
LogP1.16
Rot. Bonds6

About (2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide

(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 8801007) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is (2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
PubChem CID8801007
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O3S/c1-3-6-15-12(17)8(2)16-20(18,19)11-7-9(13)4-5-10(11)14/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17)/t8-/m0/s1
InChIKeyVVOLFYHWGDWEHO-QMMMGPOBSA-N
XLogP1.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-amino-2,4-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 61476091
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800972
(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
CID 8802570
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890659
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide (CID 8801007) is (2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of (2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is VVOLFYHWGDWEHO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-3-6-15-12(17)8(2)16-20(18,19)11-7-9(13)4-5-10(11)14/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide?
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 306.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 8801007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).