2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide

C14H19FN2O4S — CID 10404368

IUPAC2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide
SMILESCc1cc(S(=O)(=O)NC(CC2(C)CC2)C(=O)NO)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-9-7-10(3-4-11(9)15)22(20,21)17-12(13(18)16-19)8-14(2)5-6-14/h3-4,7,12,17,19H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyGYERBSYMGJLBJJ-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.48
Rot. Bonds6

About 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide (PubChem CID 10404368) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide
PubChem CID10404368
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide
SMILESCc1cc(S(=O)(=O)NC(CC2(C)CC2)C(=O)NO)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-9-7-10(3-4-11(9)15)22(20,21)17-12(13(18)16-19)8-14(2)5-6-14/h3-4,7,12,17,19H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyGYERBSYMGJLBJJ-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide (CID 10404368) is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide is Cc1cc(S(=O)(=O)NC(CC2(C)CC2)C(=O)NO)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide?
The InChIKey is GYERBSYMGJLBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-9-7-10(3-4-11(9)15)22(20,21)17-12(13(18)16-19)8-14(2)5-6-14/h3-4,7,12,17,19H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide?
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide has a molecular weight of 330.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-hydroxy-3-(1-methylcyclopropyl)propanamide is sourced from PubChem (CID 10404368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).