N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide

C13H11BrFNO2S — CID 100502341

IUPACN-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11BrFNO2S/c1-16(12-6-2-10(14)3-7-12)19(17,18)13-8-4-11(15)5-9-13/h2-9H,1H3
InChIKeyYVWBTZWIPYVDNN-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.41
Rot. Bonds3

About N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide

N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 100502341) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID100502341
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11BrFNO2S/c1-16(12-6-2-10(14)3-7-12)19(17,18)13-8-4-11(15)5-9-13/h2-9H,1H3
InChIKeyYVWBTZWIPYVDNN-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001773
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
4-bromo-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
CID 20704088
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 47310666
N-(3-amino-4-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39444301
N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39457127
N-(4-bromophenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100520963
4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide
CID 138999298

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide (CID 100502341) is N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide is CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is YVWBTZWIPYVDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c1-16(12-6-2-10(14)3-7-12)19(17,18)13-8-4-11(15)5-9-13/h2-9H,1H3.
What are the key properties of N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide?
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 344.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 100502341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).