N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

C20H17BrFNO3S — CID 46022176

IUPACN-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H17BrFNO3S/c1-26-19-4-2-3-15(13-19)14-23(18-9-5-16(21)6-10-18)27(24,25)20-11-7-17(22)8-12-20/h2-13H,14H2,1H3
InChIKeyLOQBPCSOMVSLOL-UHFFFAOYSA-N
MW450.33 g/mol
LogP4.99
Rot. Bonds6

About N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 46022176) has the molecular formula C20H17BrFNO3S and a molecular weight of 450.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID46022176
Molecular FormulaC20H17BrFNO3S
Molecular Weight450.33 g/mol
Exact Mass449.01
IUPAC NameN-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H17BrFNO3S/c1-26-19-4-2-3-15(13-19)14-23(18-9-5-16(21)6-10-18)27(24,25)20-11-7-17(22)8-12-20/h2-13H,14H2,1H3
InChIKeyLOQBPCSOMVSLOL-UHFFFAOYSA-N
XLogP4.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46022175
N-(4-bromophenyl)-3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023287
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 46023288
N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-nitrobenzenesulfonamide
CID 46022695
N-(3-bromophenyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 46021891
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022697
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023300
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide (CID 46022176) is N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is COc1cccc(CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is LOQBPCSOMVSLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFNO3S/c1-26-19-4-2-3-15(13-19)14-23(18-9-5-16(21)6-10-18)27(24,25)20-11-7-17(22)8-12-20/h2-13H,14H2,1H3.
What are the key properties of N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide?
N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 450.33 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-fluoro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46022176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).