N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline

C15H15BrClNO2S — CID 133451375

IUPACN-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NCCc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H15BrClNO2S/c1-21(19,20)14-5-3-13(4-6-14)18-9-8-11-10-12(17)2-7-15(11)16/h2-7,10,18H,8-9H2,1H3
InChIKeyWOOXATHVVYVCKP-UHFFFAOYSA-N
MW388.71 g/mol
LogP4.16
Rot. Bonds5

About N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline

N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline (PubChem CID 133451375) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline
PubChem CID133451375
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC NameN-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NCCc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H15BrClNO2S/c1-21(19,20)14-5-3-13(4-6-14)18-9-8-11-10-12(17)2-7-15(11)16/h2-7,10,18H,8-9H2,1H3
InChIKeyWOOXATHVVYVCKP-UHFFFAOYSA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-4-methylsulfonylaniline
CID 66160835
N-[2-(2-bromo-5-chlorophenyl)ethyl]methanesulfonamide
CID 122140732
N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 66159928
4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 61380564
N-(3,3-dimethylbutyl)-4-methylsulfonylaniline
CID 60911880
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
2-bromo-N-(4-chlorophenyl)-4-methylsulfonylaniline
CID 118863483
N-(4-bromo-3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71283763
N-[4-[2-(2,4-dichlorophenyl)ethylamino]phenyl]propane-1-sulfonamide
CID 112985739
N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71284029

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline?
The IUPAC name of N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline (CID 133451375) is N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline.
What is the SMILES notation for N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline?
The canonical SMILES for N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline is CS(=O)(=O)c1ccc(NCCc2cc(Cl)ccc2Br)cc1.
What is the InChIKey of N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline?
The InChIKey is WOOXATHVVYVCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-21(19,20)14-5-3-13(4-6-14)18-9-8-11-10-12(17)2-7-15(11)16/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline?
N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline has a molecular weight of 388.71 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-chlorophenyl)ethyl]-4-methylsulfonylaniline is sourced from PubChem (CID 133451375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).