2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide

C15H15BrFNO4S — CID 9187534

IUPAC2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NCc2ccccc2F)cc1OC
InChIInChI=1S/C15H15BrFNO4S/c1-21-13-7-11(16)15(8-14(13)22-2)23(19,20)18-9-10-5-3-4-6-12(10)17/h3-8,18H,9H2,1-2H3
InChIKeyUUVOFVOJHNBEEC-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.08
Rot. Bonds6

About 2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide

2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide (PubChem CID 9187534) has the molecular formula C15H15BrFNO4S and a molecular weight of 404.26 g/mol. Its IUPAC name is 2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide
PubChem CID9187534
Molecular FormulaC15H15BrFNO4S
Molecular Weight404.26 g/mol
Exact Mass402.99
IUPAC Name2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)NCc2ccccc2F)cc1OC
InChIInChI=1S/C15H15BrFNO4S/c1-21-13-7-11(16)15(8-14(13)22-2)23(19,20)18-9-10-5-3-4-6-12(10)17/h3-8,18H,9H2,1-2H3
InChIKeyUUVOFVOJHNBEEC-UHFFFAOYSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide
CID 45479960
N-(4-fluorobenzyl)-3,4-dimethoxybenzenesulfonamide
CID 769005
2-bromo-4-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46902208
N-Benzyl-3,4-dimethoxybenzenesulfonamide
CID 571904
2-Bromo-N-(4-methoxybenzyl)benzenesulfonamide
CID 5014696
2-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 44825360
2-bromo-N-[3-fluoro-4-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 71580136
N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 1184065
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-4,6-difluorobenzenesulfonamide
CID 2552383
2-bromo-N-[2-(3-fluorophenyl)cyclopropyl]-4,5-dimethoxybenzenesulfonamide
CID 71883999
2-bromo-N-[(4-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide
CID 9186924
3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 163393378

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide (CID 9187534) is 2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)NCc2ccccc2F)cc1OC.
What is the InChIKey of 2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide?
The InChIKey is UUVOFVOJHNBEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO4S/c1-21-13-7-11(16)15(8-14(13)22-2)23(19,20)18-9-10-5-3-4-6-12(10)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide?
2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide has a molecular weight of 404.26 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-fluorophenyl)methyl]-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 9187534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).