2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide

C13H8F5NO3S — CID 10473251

IUPAC2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H8F5NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-11(17)9(15)8(14)10(16)12(13)18/h2-5,19H,1H3
InChIKeyQBYINFJZJBSGFL-UHFFFAOYSA-N
MW353.27 g/mol
LogP3.19
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide

2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 10473251) has the molecular formula C13H8F5NO3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID10473251
Molecular FormulaC13H8F5NO3S
Molecular Weight353.27 g/mol
Exact Mass353.01
IUPAC Name2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H8F5NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-11(17)9(15)8(14)10(16)12(13)18/h2-5,19H,1H3
InChIKeyQBYINFJZJBSGFL-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Batabulin
CID 216324
4-amino-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 579335
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-amino-N-(3-methoxyphenyl)benzenesulfonamide
CID 16795336
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
4-Methoxyphenylsulfamide
CID 12033284
N-(4-Ethoxyphenyl)-4-methylbenzenesulfonamide
CID 284083
2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485020
1-Bromo-2,4,5,6-tetrafluoro-3-[(4-methoxyphenyl)aminosulfonyl]benzene
CID 15485021
4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide
CID 202089
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
CID 788027

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide (CID 10473251) is 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is QBYINFJZJBSGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-11(17)9(15)8(14)10(16)12(13)18/h2-5,19H,1H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 353.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10473251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).