[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide

C14H14BrFN2O2S — CID 43745244

IUPAC[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C14H14BrFN2O2S/c15-13-7-11(3-6-14(13)16)8-18-12-4-1-10(2-5-12)9-21(17,19)20/h1-7,18H,8-9H2,(H2,17,19,20)
InChIKeyKWANUDNPMCNIJK-UHFFFAOYSA-N
MW373.25 g/mol
LogP2.99
Rot. Bonds5

About [4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide

[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide (PubChem CID 43745244) has the molecular formula C14H14BrFN2O2S and a molecular weight of 373.25 g/mol. Its IUPAC name is [4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide
PubChem CID43745244
Molecular FormulaC14H14BrFN2O2S
Molecular Weight373.25 g/mol
Exact Mass371.99
IUPAC Name[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C14H14BrFN2O2S/c15-13-7-11(3-6-14(13)16)8-18-12-4-1-10(2-5-12)9-21(17,19)20/h1-7,18H,8-9H2,(H2,17,19,20)
InChIKeyKWANUDNPMCNIJK-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 110170598
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
[4-[(5-bromothiophen-3-yl)methylamino]phenyl]methanesulfonamide
CID 43745273
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
N-[(3-bromo-4-fluorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 28557600
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079
[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 107694380
N-[(3-bromo-4-fluorophenyl)methyl]-4-[chloro(difluoro)methoxy]aniline
CID 123506434
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
4-[(3-bromo-4-fluorophenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788476
N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 81431279

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide (CID 43745244) is [4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(NCc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of [4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is KWANUDNPMCNIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2S/c15-13-7-11(3-6-14(13)16)8-18-12-4-1-10(2-5-12)9-21(17,19)20/h1-7,18H,8-9H2,(H2,17,19,20).
What are the key properties of [4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide?
[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 373.25 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43745244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).