3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide

C15H15BrFNO3S — CID 30329135

IUPAC3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1Br
InChIInChI=1S/C15H15BrFNO3S/c1-18(10-11-5-3-4-6-14(11)17)22(19,20)12-7-8-15(21-2)13(16)9-12/h3-9H,10H2,1-2H3
InChIKeyFWQZZRAFMZLLPP-UHFFFAOYSA-N
MW388.26 g/mol
LogP3.42
Rot. Bonds5

About 3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide

3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 30329135) has the molecular formula C15H15BrFNO3S and a molecular weight of 388.26 g/mol. Its IUPAC name is 3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID30329135
Molecular FormulaC15H15BrFNO3S
Molecular Weight388.26 g/mol
Exact Mass386.99
IUPAC Name3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1Br
InChIInChI=1S/C15H15BrFNO3S/c1-18(10-11-5-3-4-6-14(11)17)22(19,20)12-7-8-15(21-2)13(16)9-12/h3-9H,10H2,1-2H3
InChIKeyFWQZZRAFMZLLPP-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61060274
3-bromo-4-methoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61060027
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652342
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391555
3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 55681731

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide (CID 30329135) is 3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1Br.
What is the InChIKey of 3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is FWQZZRAFMZLLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO3S/c1-18(10-11-5-3-4-6-14(11)17)22(19,20)12-7-8-15(21-2)13(16)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide?
3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 388.26 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 30329135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).