N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide

C12H18ClNO3S — CID 61383903

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO3S/c1-3-9-18(15,16)14(2)7-8-17-12-6-4-5-11(13)10-12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyGYZAVFYZVLZHOP-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.39
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide

N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide (PubChem CID 61383903) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
PubChem CID61383903
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO3S/c1-3-9-18(15,16)14(2)7-8-17-12-6-4-5-11(13)10-12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyGYZAVFYZVLZHOP-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.39
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
N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383893
2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544497
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 131950385
N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride
CID 140556010
N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27446833
N'-[2-(3-chlorophenoxy)ethyl]-N'-ethylethane-1,2-diamine
CID 103102306
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
CID 51191187
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide (CID 61383903) is N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide?
The InChIKey is GYZAVFYZVLZHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-3-9-18(15,16)14(2)7-8-17-12-6-4-5-11(13)10-12/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide?
N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 61383903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).