2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide

C14H12Br2FNO2S — CID 55702998

IUPAC2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H12Br2FNO2S/c1-18(9-10-2-4-11(15)5-3-10)21(19,20)14-7-6-12(17)8-13(14)16/h2-8H,9H2,1H3
InChIKeyWVFYKDAHKDNYIH-UHFFFAOYSA-N
MW437.13 g/mol
LogP4.17
Rot. Bonds4

About 2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide

2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 55702998) has the molecular formula C14H12Br2FNO2S and a molecular weight of 437.13 g/mol. Its IUPAC name is 2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID55702998
Molecular FormulaC14H12Br2FNO2S
Molecular Weight437.13 g/mol
Exact Mass434.89
IUPAC Name2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H12Br2FNO2S/c1-18(9-10-2-4-11(15)5-3-10)21(19,20)14-7-6-12(17)8-13(14)16/h2-8H,9H2,1H3
InChIKeyWVFYKDAHKDNYIH-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.13
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304230
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 47257761
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568
4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 52697144
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733
2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61107779
4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43256596
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55873231

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide (CID 55702998) is 2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide is CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is WVFYKDAHKDNYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO2S/c1-18(9-10-2-4-11(15)5-3-10)21(19,20)14-7-6-12(17)8-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 437.13 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 55702998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).