(2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide

C17H14ClFN2O3S — CID 100723764

IUPAC(2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide
SMILESCC[C@H](C(=O)NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O3S/c1-2-15(11-3-6-14(19)7-4-11)17(22)21-25(23,24)16-8-5-13(18)9-12(16)10-20/h3-9,15H,2H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyDVRAKZLFWOCWMP-HNNXBMFYSA-N
MW380.83 g/mol
LogP3.35
Rot. Bonds5

About (2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide

(2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide (PubChem CID 100723764) has the molecular formula C17H14ClFN2O3S and a molecular weight of 380.83 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide
PubChem CID100723764
Molecular FormulaC17H14ClFN2O3S
Molecular Weight380.83 g/mol
Exact Mass380.04
IUPAC Name(2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide
SMILESCC[C@H](C(=O)NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O3S/c1-2-15(11-3-6-14(19)7-4-11)17(22)21-25(23,24)16-8-5-13(18)9-12(16)10-20/h3-9,15H,2H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyDVRAKZLFWOCWMP-HNNXBMFYSA-N
XLogP3.35
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide?
The IUPAC name of (2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide (CID 100723764) is (2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide.
What is the SMILES notation for (2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide?
The canonical SMILES for (2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide is CC[C@H](C(=O)NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide?
The InChIKey is DVRAKZLFWOCWMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3S/c1-2-15(11-3-6-14(19)7-4-11)17(22)21-25(23,24)16-8-5-13(18)9-12(16)10-20/h3-9,15H,2H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide?
(2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide has a molecular weight of 380.83 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2-cyanophenyl)sulfonyl-2-(4-fluorophenyl)butanamide is sourced from PubChem (CID 100723764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).