2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide

C11H16ClNO3S — CID 131007900

IUPAC2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCCOCc1ccccc1
InChIInChI=1S/C11H16ClNO3S/c12-6-9-17(14,15)13-7-8-16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyRPWNKLQMVQQSNS-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.36
Rot. Bonds8

About 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide

2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide (PubChem CID 131007900) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide
PubChem CID131007900
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCCOCc1ccccc1
InChIInChI=1S/C11H16ClNO3S/c12-6-9-17(14,15)13-7-8-16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKeyRPWNKLQMVQQSNS-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
1-bromo-N-(3-phenylmethoxypropyl)methanesulfonamide
CID 83085395
N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
CID 139969441
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
CID 63765237
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide
CID 91956336
2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
CID 107652526
methyl 3-[2-(2-phenylethoxy)ethylsulfamoyl]propanoate
CID 18779052
4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid
CID 174418153
(2R)-1-(benzenesulfonyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 97258678
(2S)-1-(benzenesulfonyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 97258677

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide (CID 131007900) is 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide is O=S(=O)(CCCl)NCCOCc1ccccc1.
What is the InChIKey of 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide?
The InChIKey is RPWNKLQMVQQSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c12-6-9-17(14,15)13-7-8-16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2.
What are the key properties of 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide?
2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenylmethoxyethyl)ethanesulfonamide is sourced from PubChem (CID 131007900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).