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

C13H9BrF3NO3S — CID 22465610

IUPAC6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(Br)cc(F)c(F)c2F)cc1
InChIInChI=1S/C13H9BrF3NO3S/c1-21-8-4-2-7(3-5-8)18-22(19,20)13-9(14)6-10(15)11(16)12(13)17/h2-6,18H,1H3
InChIKeyVFMLEDLVUDSUAX-UHFFFAOYSA-N
MW396.18 g/mol
LogP3.68
Rot. Bonds4

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

6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 22465610) has the molecular formula C13H9BrF3NO3S and a molecular weight of 396.18 g/mol. Its IUPAC name is 6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID22465610
Molecular FormulaC13H9BrF3NO3S
Molecular Weight396.18 g/mol
Exact Mass394.94
IUPAC Name6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(Br)cc(F)c(F)c2F)cc1
InChIInChI=1S/C13H9BrF3NO3S/c1-21-8-4-2-7(3-5-8)18-22(19,20)13-9(14)6-10(15)11(16)12(13)17/h2-6,18H,1H3
InChIKeyVFMLEDLVUDSUAX-UHFFFAOYSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 53.68
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

2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 40645404
4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485022
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide
CID 54199347
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
3,4-difluoro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465707
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
4-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25342673
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide (CID 22465610) is 6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(Br)cc(F)c(F)c2F)cc1.
What is the InChIKey of 6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is VFMLEDLVUDSUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO3S/c1-21-8-4-2-7(3-5-8)18-22(19,20)13-9(14)6-10(15)11(16)12(13)17/h2-6,18H,1H3.
What are the key properties of 6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide?
6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 396.18 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 22465610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).