3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide

C14H19FN2O4S — CID 78416953

IUPAC3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide
SMILESCc1cc(S(=O)(=O)NC(C(=O)NO)C(C)C2CC2)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-8-7-11(5-6-12(8)15)22(20,21)17-13(14(18)16-19)9(2)10-3-4-10/h5-7,9-10,13,17,19H,3-4H2,1-2H3,(H,16,18)
InChIKeyBBJCPZXJCFABTC-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.33
Rot. Bonds6

About 3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide

3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide (PubChem CID 78416953) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide.

Molecular Properties

Compound Name3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide
PubChem CID78416953
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide
SMILESCc1cc(S(=O)(=O)NC(C(=O)NO)C(C)C2CC2)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-8-7-11(5-6-12(8)15)22(20,21)17-13(14(18)16-19)9(2)10-3-4-10/h5-7,9-10,13,17,19H,3-4H2,1-2H3,(H,16,18)
InChIKeyBBJCPZXJCFABTC-UHFFFAOYSA-N
XLogP1.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.33
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

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 142670856
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide
CID 10404368
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-phenylpropanamide
CID 10247434
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694924
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 7127688
2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 134100923
4-fluoro-3-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 100696059
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112991969

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide?
The IUPAC name of 3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide (CID 78416953) is 3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide.
What is the SMILES notation for 3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide?
The canonical SMILES for 3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide is Cc1cc(S(=O)(=O)NC(C(=O)NO)C(C)C2CC2)ccc1F.
What is the InChIKey of 3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide?
The InChIKey is BBJCPZXJCFABTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-8-7-11(5-6-12(8)15)22(20,21)17-13(14(18)16-19)9(2)10-3-4-10/h5-7,9-10,13,17,19H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide?
3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide has a molecular weight of 330.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxybutanamide is sourced from PubChem (CID 78416953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).