N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane

C15H18BrNOS — CID 143024754

IUPACN-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane
SMILESCC.Cc1cc(Br)ccc1NS(=O)c1ccccc1
InChIInChI=1S/C13H12BrNOS.C2H6/c1-10-9-11(14)7-8-13(10)15-17(16)12-5-3-2-4-6-12;1-2/h2-9,15H,1H3;1-2H3
InChIKeyQPPXLGHQZDJOMR-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.92
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane

N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane (PubChem CID 143024754) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane
PubChem CID143024754
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane
SMILESCC.Cc1cc(Br)ccc1NS(=O)c1ccccc1
InChIInChI=1S/C13H12BrNOS.C2H6/c1-10-9-11(14)7-8-13(10)15-17(16)12-5-3-2-4-6-12;1-2/h2-9,15H,1H3;1-2H3
InChIKeyQPPXLGHQZDJOMR-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-methylphenyl)ethanesulfinamide
CID 131137861
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
2-[2-[(4-bromo-2-methylanilino)methyl]phenyl]acetic acid
CID 115461411
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
2-N-(4-bromo-2-methylphenyl)benzene-1,2-diamine
CID 18404976
4-bromo-N-ethyl-2-methylaniline
CID 23053407
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
2-(4-bromo-2-methylanilino)-N-phenylpropanamide
CID 43084058
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
4-bromo-2-methyl-N-(4-phenylcyclohexyl)aniline
CID 29032557
N-(4-bromo-2-methylphenyl)-2-sulfanylbenzamide
CID 113220443

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane?
The IUPAC name of N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane (CID 143024754) is N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane?
The canonical SMILES for N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane is CC.Cc1cc(Br)ccc1NS(=O)c1ccccc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane?
The InChIKey is QPPXLGHQZDJOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS.C2H6/c1-10-9-11(14)7-8-13(10)15-17(16)12-5-3-2-4-6-12;1-2/h2-9,15H,1H3;1-2H3.
What are the key properties of N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane?
N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane has a molecular weight of 340.29 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane is sourced from PubChem (CID 143024754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).