2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide

C11H16ClNO3S — CID 107650835

IUPAC2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)CCCl
InChIInChI=1S/C11H16ClNO3S/c1-9(13-17(14,15)8-7-12)10-5-3-4-6-11(10)16-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyZIBPBELBLIOCAT-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.91
Rot. Bonds6

About 2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide

2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 107650835) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
PubChem CID107650835
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)CCCl
InChIInChI=1S/C11H16ClNO3S/c1-9(13-17(14,15)8-7-12)10-5-3-4-6-11(10)16-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyZIBPBELBLIOCAT-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037571
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
4-chloro-N-[1-(2-chlorophenyl)ethyl]butane-1-sulfonamide
CID 116815054
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
3-[1-(2-propan-2-yloxyphenyl)ethylsulfamoyl]propanoic acid
CID 43716797
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide
CID 47372622
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387329
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide (CID 107650835) is 2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide is COc1ccccc1C(C)NS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is ZIBPBELBLIOCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-9(13-17(14,15)8-7-12)10-5-3-4-6-11(10)16-2/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide?
2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 107650835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).