(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide

C17H19FN2O3S2 — CID 9412291

IUPAC(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H19FN2O3S2/c1-24-11-10-16(17(21)19-14-7-5-6-13(18)12-14)20-25(22,23)15-8-3-2-4-9-15/h2-9,12,16,20H,10-11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyZGIMDLSNIGBMNI-INIZCTEOSA-N
MW382.48 g/mol
LogP2.86
Rot. Bonds8

About (2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide

(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide (PubChem CID 9412291) has the molecular formula C17H19FN2O3S2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
PubChem CID9412291
Molecular FormulaC17H19FN2O3S2
Molecular Weight382.48 g/mol
Exact Mass382.08
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H19FN2O3S2/c1-24-11-10-16(17(21)19-14-7-5-6-13(18)12-14)20-25(22,23)15-8-3-2-4-9-15/h2-9,12,16,20H,10-11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyZGIMDLSNIGBMNI-INIZCTEOSA-N
XLogP2.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55420201
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
methyl 2-[[3-[[2-(benzenesulfonamido)-4-methylsulfanylbutanoyl]amino]benzoyl]amino]acetate
CID 55962404
3-[[2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzoic acid
CID 19032733
(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide
CID 8761233
2-(benzenesulfonamido)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methylsulfanylbutanamide
CID 55626826
N-(4-fluorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55333970
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
(2S)-2-(benzenesulfonamido)-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 40713383
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46513548
2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide
CID 55334688
2-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
CID 55331060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide (CID 9412291) is (2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide is CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide?
The InChIKey is ZGIMDLSNIGBMNI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19FN2O3S2/c1-24-11-10-16(17(21)19-14-7-5-6-13(18)12-14)20-25(22,23)15-8-3-2-4-9-15/h2-9,12,16,20H,10-11H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide?
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide has a molecular weight of 382.48 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 9412291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).