1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide

C18H22ClNO4S — CID 90536550

IUPAC1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)Cc2ccc(Cl)cc2)OCCO)cc1
InChIInChI=1S/C18H22ClNO4S/c1-14-2-6-16(7-3-14)18(24-11-10-21)12-20-25(22,23)13-15-4-8-17(19)9-5-15/h2-9,18,20-21H,10-13H2,1H3
InChIKeyRQKYCCWFAGMEND-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.82
Rot. Bonds9

About 1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide (PubChem CID 90536550) has the molecular formula C18H22ClNO4S and a molecular weight of 383.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide
PubChem CID90536550
Molecular FormulaC18H22ClNO4S
Molecular Weight383.90 g/mol
Exact Mass383.10
IUPAC Name1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)Cc2ccc(Cl)cc2)OCCO)cc1
InChIInChI=1S/C18H22ClNO4S/c1-14-2-6-16(7-3-14)18(24-11-10-21)12-20-25(22,23)13-15-4-8-17(19)9-5-15/h2-9,18,20-21H,10-13H2,1H3
InChIKeyRQKYCCWFAGMEND-UHFFFAOYSA-N
XLogP2.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide (CID 90536550) is 1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide is Cc1ccc(C(CNS(=O)(=O)Cc2ccc(Cl)cc2)OCCO)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is RQKYCCWFAGMEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4S/c1-14-2-6-16(7-3-14)18(24-11-10-21)12-20-25(22,23)13-15-4-8-17(19)9-5-15/h2-9,18,20-21H,10-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide has a molecular weight of 383.90 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 90536550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).