4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C19H19ClN2O4S — CID 90684284

IUPAC4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(C#N)c(Cl)c2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H19ClN2O4S/c1-19(18(23)22-24,27(2,25)26)10-9-13-3-5-14(6-4-13)15-7-8-16(12-21)17(20)11-15/h3-8,11,24H,9-10H2,1-2H3,(H,22,23)
InChIKeyGJNBOHJVNIVSNX-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.12
Rot. Bonds6

About 4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684284) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684284
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(C#N)c(Cl)c2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H19ClN2O4S/c1-19(18(23)22-24,27(2,25)26)10-9-13-3-5-14(6-4-13)15-7-8-16(12-21)17(20)11-15/h3-8,11,24H,9-10H2,1-2H3,(H,22,23)
InChIKeyGJNBOHJVNIVSNX-UHFFFAOYSA-N
XLogP3.12
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-acetyl-3-hydroxyphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684305
4-[4-(5-cyanothiophen-2-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851121
4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 51355855
4-[4-(cyclohepten-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 86668776
N-hydroxy-4-[4-[4-(3-hydroxypropyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 86671938
(2R)-N-hydroxy-4-[6-[4-(2-hydroxyethyl)phenyl]-1-oxoisoquinolin-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 129217598
N-hydroxy-4-[6-[4-(2-hydroxyethyl)phenyl]-1-oxoisoquinolin-2-yl]-2-methyl-2-methylsulfonylbutanamide
CID 129239194
4-[4-[(2-ethylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663429
4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116202
(2R)-4-[4-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116103
N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
CID 146125461
4-[6-(4-ethylphenyl)-3-oxo-1H-isoindol-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 137359602

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684284) is 4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2ccc(C#N)c(Cl)c2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is GJNBOHJVNIVSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-19(18(23)22-24,27(2,25)26)10-9-13-3-5-14(6-4-13)15-7-8-16(12-21)17(20)11-15/h3-8,11,24H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 406.89 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).