N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline

C15H15BrFNO2S — CID 43234278

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccc(NCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H15BrFNO2S/c1-2-21(19,20)14-7-5-13(6-8-14)18-10-11-3-4-12(16)9-15(11)17/h3-9,18H,2,10H2,1H3
InChIKeyZRUUGOCQNRRLJS-UHFFFAOYSA-N
MW372.26 g/mol
LogP3.99
Rot. Bonds5

About N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline

N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline (PubChem CID 43234278) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline
PubChem CID43234278
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1ccc(NCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H15BrFNO2S/c1-2-21(19,20)14-7-5-13(6-8-14)18-10-11-3-4-12(16)9-15(11)17/h3-9,18H,2,10H2,1H3
InChIKeyZRUUGOCQNRRLJS-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 79671646
N-[(4-bromo-2-fluorophenyl)methyl]-4-butylaniline
CID 43242983
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
2-[4-[(4-bromo-2-fluorophenyl)methylamino]phenyl]acetic acid
CID 11537371
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
3-[(4-bromo-2-fluorophenyl)methylamino]benzenesulfonamide
CID 43364565
N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812048
2-[4-[(4-bromo-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 43674384
N-[(4-bromo-2-fluorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 43242984
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
N-[(2,5-dimethylphenyl)methyl]-4-ethylsulfonylaniline
CID 60711317
4-bromo-1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
CID 604533

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline (CID 43234278) is N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline is CCS(=O)(=O)c1ccc(NCc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline?
The InChIKey is ZRUUGOCQNRRLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-2-21(19,20)14-7-5-13(6-8-14)18-10-11-3-4-12(16)9-15(11)17/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline?
N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline has a molecular weight of 372.26 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline is sourced from PubChem (CID 43234278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).