N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide

C10H14ClNO3S — CID 71683982

IUPACN-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-15-6-7-16(13,14)12-8-9-4-2-3-5-10(9)11/h2-5,12H,6-8H2,1H3
InChIKeyXDEJOIFDLKYFPV-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.41
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide

N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide (PubChem CID 71683982) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide
PubChem CID71683982
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-15-6-7-16(13,14)12-8-9-4-2-3-5-10(9)11/h2-5,12H,6-8H2,1H3
InChIKeyXDEJOIFDLKYFPV-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide (CID 71683982) is N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is XDEJOIFDLKYFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-15-6-7-16(13,14)12-8-9-4-2-3-5-10(9)11/h2-5,12H,6-8H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide?
N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 71683982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).