3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide

C16H16F2N2O4S — CID 24540770

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c(O)c1
InChIInChI=1S/C16H16F2N2O4S/c1-10-2-5-14(15(21)8-10)20-16(22)6-7-19-25(23,24)11-3-4-12(17)13(18)9-11/h2-5,8-9,19,21H,6-7H2,1H3,(H,20,22)
InChIKeyIQQUMVMNNAYYKP-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.29
Rot. Bonds6

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide (PubChem CID 24540770) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
PubChem CID24540770
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c(O)c1
InChIInChI=1S/C16H16F2N2O4S/c1-10-2-5-14(15(21)8-10)20-16(22)6-7-19-25(23,24)11-3-4-12(17)13(18)9-11/h2-5,8-9,19,21H,6-7H2,1H3,(H,20,22)
InChIKeyIQQUMVMNNAYYKP-UHFFFAOYSA-N
XLogP2.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 26687643
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495477
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26582388
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
CID 26717747
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543919
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 7979655

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide (CID 24540770) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c(O)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide?
The InChIKey is IQQUMVMNNAYYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-10-2-5-14(15(21)8-10)20-16(22)6-7-19-25(23,24)11-3-4-12(17)13(18)9-11/h2-5,8-9,19,21H,6-7H2,1H3,(H,20,22).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide has a molecular weight of 370.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 24540770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).