N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide

C16H18BrNO3S — CID 2457467

IUPACN-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCOc2cccc(Br)c2)cc1
InChIInChI=1S/C16H18BrNO3S/c1-13-6-8-16(9-7-13)22(19,20)18(2)10-11-21-15-5-3-4-14(17)12-15/h3-9,12H,10-11H2,1-2H3
InChIKeyMIRINTIBSUAVAE-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide

N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 2457467) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
PubChem CID2457467
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCOc2cccc(Br)c2)cc1
InChIInChI=1S/C16H18BrNO3S/c1-13-6-8-16(9-7-13)22(19,20)18(2)10-11-21-15-5-3-4-14(17)12-15/h3-9,12H,10-11H2,1-2H3
InChIKeyMIRINTIBSUAVAE-UHFFFAOYSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544504
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
3-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544458
4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544497
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544444
3-(3-bromophenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 26865839
2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60646267
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
1-bromo-3-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 113099671
3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide
CID 106441720
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide (CID 2457467) is N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCOc2cccc(Br)c2)cc1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is MIRINTIBSUAVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-13-6-8-16(9-7-13)22(19,20)18(2)10-11-21-15-5-3-4-14(17)12-15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide?
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2457467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).