N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide

C13H17ClFNO3S — CID 129381682

IUPACN-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide
SMILESCC[C@H](C)CS(=O)(=O)CC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO3S/c1-3-9(2)7-20(18,19)8-13(17)16-12-5-4-10(15)6-11(12)14/h4-6,9H,3,7-8H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeySJZMPWFAJRYFDY-VIFPVBQESA-N
MW321.80 g/mol
LogP2.88
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide

N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide (PubChem CID 129381682) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide
PubChem CID129381682
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide
SMILESCC[C@H](C)CS(=O)(=O)CC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO3S/c1-3-9(2)7-20(18,19)8-13(17)16-12-5-4-10(15)6-11(12)14/h4-6,9H,3,7-8H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeySJZMPWFAJRYFDY-VIFPVBQESA-N
XLogP2.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62964348
N-(2-chloro-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 60852332
N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
CID 62015284
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101953
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913739
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] propanoate
CID 7851242
N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide
CID 86857982

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide (CID 129381682) is N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide is CC[C@H](C)CS(=O)(=O)CC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide?
The InChIKey is SJZMPWFAJRYFDY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c1-3-9(2)7-20(18,19)8-13(17)16-12-5-4-10(15)6-11(12)14/h4-6,9H,3,7-8H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide?
N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide has a molecular weight of 321.80 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[(2S)-2-methylbutyl]sulfonylacetamide is sourced from PubChem (CID 129381682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).