3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide

C16H16F2N2O4S — CID 166396211

IUPAC3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc(C(=O)N(C)C)c1
InChIInChI=1S/C16H16F2N2O4S/c1-9-4-10(16(22)20(2)3)6-12(5-9)19-25(23,24)14-8-11(17)7-13(18)15(14)21/h4-8,19,21H,1-3H3
InChIKeyVWUFDAVXNVDMDY-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.48
Rot. Bonds4

About 3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide

3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide (PubChem CID 166396211) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide.

Molecular Properties

Compound Name3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide
PubChem CID166396211
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc(C(=O)N(C)C)c1
InChIInChI=1S/C16H16F2N2O4S/c1-9-4-10(16(22)20(2)3)6-12(5-9)19-25(23,24)14-8-11(17)7-13(18)15(14)21/h4-8,19,21H,1-3H3
InChIKeyVWUFDAVXNVDMDY-UHFFFAOYSA-N
XLogP2.48
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide?
The IUPAC name of 3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide (CID 166396211) is 3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide.
What is the SMILES notation for 3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide?
The canonical SMILES for 3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide is Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2O)cc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide?
The InChIKey is VWUFDAVXNVDMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-9-4-10(16(22)20(2)3)6-12(5-9)19-25(23,24)14-8-11(17)7-13(18)15(14)21/h4-8,19,21H,1-3H3.
What are the key properties of 3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide?
3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide has a molecular weight of 370.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluoro-2-hydroxyphenyl)sulfonylamino]-N,N,5-trimethylbenzamide is sourced from PubChem (CID 166396211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).