2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide

C11H14ClFN2O3S — CID 103827501

IUPAC2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFN2O3S/c1-19(17,18)5-4-9(14)11(16)15-10-6-7(13)2-3-8(10)12/h2-3,6,9H,4-5,14H2,1H3,(H,15,16)
InChIKeyWIOXXHAHLKQEGP-UHFFFAOYSA-N
MW308.76 g/mol
LogP1.18
Rot. Bonds5

About 2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide

2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide (PubChem CID 103827501) has the molecular formula C11H14ClFN2O3S and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide
PubChem CID103827501
Molecular FormulaC11H14ClFN2O3S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC Name2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFN2O3S/c1-19(17,18)5-4-9(14)11(16)15-10-6-7(13)2-3-8(10)12/h2-3,6,9H,4-5,14H2,1H3,(H,15,16)
InChIKeyWIOXXHAHLKQEGP-UHFFFAOYSA-N
XLogP1.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
2-amino-4-methylsulfonyl-N-(2,4,5-trichlorophenyl)butanamide
CID 43097188
2-amino-N-(2-chloro-5-fluorophenyl)butanediamide
CID 113288249
2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide
CID 43713313
2-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 119957538
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
2-amino-N-(2,5-difluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 103586036
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 79025267
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]pentanamide
CID 43706825
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
CID 55081012

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide (CID 103827501) is 2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide?
The InChIKey is WIOXXHAHLKQEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O3S/c1-19(17,18)5-4-9(14)11(16)15-10-6-7(13)2-3-8(10)12/h2-3,6,9H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide has a molecular weight of 308.76 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 103827501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).