1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide

C15H16ClNO3S — CID 2225855

IUPAC1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCOc1ccccc1
InChIInChI=1S/C15H16ClNO3S/c16-15-9-5-4-6-13(15)12-21(18,19)17-10-11-20-14-7-2-1-3-8-14/h1-9,17H,10-12H2
InChIKeyKXIAPMDXXUOUGW-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.84
Rot. Bonds7

About 1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide (PubChem CID 2225855) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide
PubChem CID2225855
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCOc1ccccc1
InChIInChI=1S/C15H16ClNO3S/c16-15-9-5-4-6-13(15)12-21(18,19)17-10-11-20-14-7-2-1-3-8-14/h1-9,17H,10-12H2
InChIKeyKXIAPMDXXUOUGW-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide (CID 2225855) is 1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCCOc1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide?
The InChIKey is KXIAPMDXXUOUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c16-15-9-5-4-6-13(15)12-21(18,19)17-10-11-20-14-7-2-1-3-8-14/h1-9,17H,10-12H2.
What are the key properties of 1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-phenoxyethyl)methanesulfonamide is sourced from PubChem (CID 2225855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).