N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide

C15H22ClNO4S — CID 127266136

IUPACN-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide
SMILESCOC(CS(=O)(=O)Nc1ccc(C)c(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H22ClNO4S/c1-11-3-4-13(9-14(11)16)17-22(18,19)10-15(20-2)12-5-7-21-8-6-12/h3-4,9,12,15,17H,5-8,10H2,1-2H3
InChIKeyLKJINYPSTCYQGN-UHFFFAOYSA-N
MW347.86 g/mol
LogP2.83
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide

N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide (PubChem CID 127266136) has the molecular formula C15H22ClNO4S and a molecular weight of 347.86 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide
PubChem CID127266136
Molecular FormulaC15H22ClNO4S
Molecular Weight347.86 g/mol
Exact Mass347.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide
SMILESCOC(CS(=O)(=O)Nc1ccc(C)c(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H22ClNO4S/c1-11-3-4-13(9-14(11)16)17-22(18,19)10-15(20-2)12-5-7-21-8-6-12/h3-4,9,12,15,17H,5-8,10H2,1-2H3
InChIKeyLKJINYPSTCYQGN-UHFFFAOYSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide (CID 127266136) is N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide is COC(CS(=O)(=O)Nc1ccc(C)c(Cl)c1)C1CCOCC1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide?
The InChIKey is LKJINYPSTCYQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO4S/c1-11-3-4-13(9-14(11)16)17-22(18,19)10-15(20-2)12-5-7-21-8-6-12/h3-4,9,12,15,17H,5-8,10H2,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide?
N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide has a molecular weight of 347.86 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide is sourced from PubChem (CID 127266136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).