N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide

C18H23NO5S — CID 90536518

IUPACN-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC(OCCO)c2ccc(C)cc2)c1
InChIInChI=1S/C18H23NO5S/c1-14-6-8-15(9-7-14)18(24-11-10-20)13-19-25(21,22)17-5-3-4-16(12-17)23-2/h3-9,12,18-20H,10-11,13H2,1-2H3
InChIKeyICLONDFEHCSFCA-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.03
Rot. Bonds9

About N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide

N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide (PubChem CID 90536518) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide
PubChem CID90536518
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCC(OCCO)c2ccc(C)cc2)c1
InChIInChI=1S/C18H23NO5S/c1-14-6-8-15(9-7-14)18(24-11-10-20)13-19-25(21,22)17-5-3-4-16(12-17)23-2/h3-9,12,18-20H,10-11,13H2,1-2H3
InChIKeyICLONDFEHCSFCA-UHFFFAOYSA-N
XLogP2.03
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 90536544
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 90536519
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzamide
CID 90536372
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 90536420
N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
CID 81259105
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
1-(4-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]methanesulfonamide
CID 90536550
3-methoxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 103153533
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide (CID 90536518) is N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NCC(OCCO)c2ccc(C)cc2)c1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide?
The InChIKey is ICLONDFEHCSFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-14-6-8-15(9-7-14)18(24-11-10-20)13-19-25(21,22)17-5-3-4-16(12-17)23-2/h3-9,12,18-20H,10-11,13H2,1-2H3.
What are the key properties of N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide?
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 90536518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).