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

C13H8BrF4NO3S — CID 15485022

IUPAC4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(Br)c(F)c2F)cc1
InChIInChI=1S/C13H8BrF4NO3S/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
InChIKeyBBBAYGJTRRZKTC-UHFFFAOYSA-N
MW414.17 g/mol
LogP3.81
Rot. Bonds4

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

4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 15485022) has the molecular formula C13H8BrF4NO3S and a molecular weight of 414.17 g/mol. Its IUPAC name is 4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID15485022
Molecular FormulaC13H8BrF4NO3S
Molecular Weight414.17 g/mol
Exact Mass412.93
IUPAC Name4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(Br)c(F)c2F)cc1
InChIInChI=1S/C13H8BrF4NO3S/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
InChIKeyBBBAYGJTRRZKTC-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

6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 22465610
2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide
CID 54199347
2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 40645404
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide
CID 129295019
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112990245

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide (CID 15485022) is 4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(F)c(F)c(Br)c(F)c2F)cc1.
What is the InChIKey of 4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is BBBAYGJTRRZKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4NO3S/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 4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide?
4-bromo-2,3,5,6-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 4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 15485022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).