4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide

C16H17FN2O4S — CID 58417630

IUPAC4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC(C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H17FN2O4S/c1-10-9-14(17)7-8-15(10)24(22,23)19-11(2)12-3-5-13(6-4-12)16(20)18-21/h3-9,11,19,21H,1-2H3,(H,18,20)
InChIKeyMTVSHBZJIXYZOY-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.29
Rot. Bonds5

About 4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide

4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide (PubChem CID 58417630) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide
PubChem CID58417630
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC(C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H17FN2O4S/c1-10-9-14(17)7-8-15(10)24(22,23)19-11(2)12-3-5-13(6-4-12)16(20)18-21/h3-9,11,19,21H,1-2H3,(H,18,20)
InChIKeyMTVSHBZJIXYZOY-UHFFFAOYSA-N
XLogP2.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994107
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81349529
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 22772322
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100691319
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-2-methylbenzenesulfonamide
CID 93084017
3-[(4-fluoro-2-methylphenyl)sulfonylamino]butanethioamide
CID 62093527

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide (CID 58417630) is 4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide is Cc1cc(F)ccc1S(=O)(=O)NC(C)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide?
The InChIKey is MTVSHBZJIXYZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-10-9-14(17)7-8-15(10)24(22,23)19-11(2)12-3-5-13(6-4-12)16(20)18-21/h3-9,11,19,21H,1-2H3,(H,18,20).
What are the key properties of 4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide?
4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide has a molecular weight of 352.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]-N-hydroxybenzamide is sourced from PubChem (CID 58417630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).