N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide

C18H23NO4S — CID 110780913

IUPACN-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H23NO4S/c1-4-22-16-7-5-15(6-8-16)13-19-24(20,21)18-11-9-17(10-12-18)23-14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyPBROJRMPIQOKSD-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.35
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide

N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110780913) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID110780913
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C18H23NO4S/c1-4-22-16-7-5-15(6-8-16)13-19-24(20,21)18-11-9-17(10-12-18)23-14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyPBROJRMPIQOKSD-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 53285290
N-(4-ethoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998900
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 87032975
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24575206

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide (CID 110780913) is N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide is CCOc1ccc(CNS(=O)(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is PBROJRMPIQOKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-4-22-16-7-5-15(6-8-16)13-19-24(20,21)18-11-9-17(10-12-18)23-14(2)3/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide?
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110780913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).