N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide

C14H13BrFNO3S — CID 86984270

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFNO3S/c1-20-13-4-2-3-5-14(13)21(18,19)17-9-10-8-11(15)6-7-12(10)16/h2-8,17H,9H2,1H3
InChIKeyWMSUJTBFVRIVJC-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.08
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 86984270) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID86984270
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFNO3S/c1-20-13-4-2-3-5-14(13)21(18,19)17-9-10-8-11(15)6-7-12(10)16/h2-8,17H,9H2,1H3
InChIKeyWMSUJTBFVRIVJC-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzenesulfonamide
CID 61298867
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 3338013
N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 47185676
2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 5181856
N-[(5-bromo-2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61301023
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine
CID 114808753
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 60936188
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide (CID 86984270) is N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is WMSUJTBFVRIVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c1-20-13-4-2-3-5-14(13)21(18,19)17-9-10-8-11(15)6-7-12(10)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 86984270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).