1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide

C17H20ClNO3S — CID 97417800

IUPAC1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccccc1C
InChIInChI=1S/C17H20ClNO3S/c1-13-7-3-5-9-15(13)17(22-2)11-19-23(20,21)12-14-8-4-6-10-16(14)18/h3-10,17,19H,11-12H2,1-2H3/t17-/m0/s1
InChIKeyZZDMZVKGRSMOCZ-KRWDZBQOSA-N
MW353.87 g/mol
LogP3.46
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide (PubChem CID 97417800) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide
PubChem CID97417800
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccccc1C
InChIInChI=1S/C17H20ClNO3S/c1-13-7-3-5-9-15(13)17(22-2)11-19-23(20,21)12-14-8-4-6-10-16(14)18/h3-10,17,19H,11-12H2,1-2H3/t17-/m0/s1
InChIKeyZZDMZVKGRSMOCZ-KRWDZBQOSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide (CID 97417800) is 1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide is CO[C@@H](CNS(=O)(=O)Cc1ccccc1Cl)c1ccccc1C.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is ZZDMZVKGRSMOCZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-13-7-3-5-9-15(13)17(22-2)11-19-23(20,21)12-14-8-4-6-10-16(14)18/h3-10,17,19H,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.46, 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-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 97417800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).