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

C13H8BrF4NO3S — CID 15485020

IUPAC2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2Br)cc1
InChIInChI=1S/C13H8BrF4NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-8(14)9(15)10(16)11(17)12(13)18/h2-5,19H,1H3
InChIKeyGGPCFSHQXLVTSO-UHFFFAOYSA-N
MW414.17 g/mol
LogP3.81
Rot. Bonds4

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

2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 15485020) has the molecular formula C13H8BrF4NO3S and a molecular weight of 414.17 g/mol. Its IUPAC name is 2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID15485020
Molecular FormulaC13H8BrF4NO3S
Molecular Weight414.17 g/mol
Exact Mass412.93
IUPAC Name2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2Br)cc1
InChIInChI=1S/C13H8BrF4NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-8(14)9(15)10(16)11(17)12(13)18/h2-5,19H,1H3
InChIKeyGGPCFSHQXLVTSO-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.17
LogP ≤ 53.81
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
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
1-Bromo-2,4,5,6-tetrafluoro-3-[(4-methoxyphenyl)aminosulfonyl]benzene
CID 15485021
4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide
CID 202089
N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 341400
2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3868683
4-bromo-N-(4-phenoxyphenyl)benzenesulfonamide
CID 4381638
Benzenesulfonamide, 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)-
CID 10473251
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 15512246
4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 341399

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide (CID 15485020) is 2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2Br)cc1.
What is the InChIKey of 2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is GGPCFSHQXLVTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-8(14)9(15)10(16)11(17)12(13)18/h2-5,19H,1H3.
What are the key properties of 2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 414.17 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 15485020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).