3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide

C14H13BrFNO2S — CID 7937738

IUPAC3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrFNO2S/c1-17(10-11-5-2-3-8-14(11)16)20(18,19)13-7-4-6-12(15)9-13/h2-9H,10H2,1H3
InChIKeyKTEIZVJZRUXRAX-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.41
Rot. Bonds4

About 3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide

3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 7937738) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is 3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID7937738
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC Name3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrFNO2S/c1-17(10-11-5-2-3-8-14(11)16)20(18,19)13-7-4-6-12(15)9-13/h2-9H,10H2,1H3
InChIKeyKTEIZVJZRUXRAX-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61060274
4-bromo-2,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 30329132
3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 30329135
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
3-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzenesulfonamide
CID 2551092
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
CID 80668985
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391555
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158319
N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267533

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide (CID 7937738) is 3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccccc1F)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is KTEIZVJZRUXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-17(10-11-5-2-3-8-14(11)16)20(18,19)13-7-4-6-12(15)9-13/h2-9H,10H2,1H3.
What are the key properties of 3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide?
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 7937738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).