2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

C16H17Cl2NO3S — CID 26544497

IUPAC2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cccc(OCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO3S/c1-12-5-3-6-13(11-12)22-10-9-19(2)23(20,21)16-14(17)7-4-8-15(16)18/h3-8,11H,9-10H2,1-2H3
InChIKeyRFKZRLUWYIHHJU-UHFFFAOYSA-N
MW374.29 g/mol
LogP4.00
Rot. Bonds6

About 2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 26544497) has the molecular formula C16H17Cl2NO3S and a molecular weight of 374.29 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID26544497
Molecular FormulaC16H17Cl2NO3S
Molecular Weight374.29 g/mol
Exact Mass373.03
IUPAC Name2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cccc(OCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO3S/c1-12-5-3-6-13(11-12)22-10-9-19(2)23(20,21)16-14(17)7-4-8-15(16)18/h3-8,11H,9-10H2,1-2H3
InChIKeyRFKZRLUWYIHHJU-UHFFFAOYSA-N
XLogP4.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]butane-1-sulfonamide
CID 116815366
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544844
4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544504
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2439982
2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
CID 100632666
N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383903
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one
CID 105081455
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
CID 2457467
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (CID 26544497) is 2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is Cc1cccc(OCCN(C)S(=O)(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is RFKZRLUWYIHHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3S/c1-12-5-3-6-13(11-12)22-10-9-19(2)23(20,21)16-14(17)7-4-8-15(16)18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 374.29 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 26544497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).