5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide

C19H25NO3S — CID 7938594

IUPAC5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1
InChIInChI=1S/C19H25NO3S/c1-6-23-17-11-9-16(10-12-17)20-24(21,22)18-13-15(19(3,4)5)8-7-14(18)2/h7-13,20H,6H2,1-5H3
InChIKeyKSDHFZSTMGBNSA-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.49
Rot. Bonds5

About 5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide

5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 7938594) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID7938594
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1
InChIInChI=1S/C19H25NO3S/c1-6-23-17-11-9-16(10-12-17)20-24(21,22)18-13-15(19(3,4)5)8-7-14(18)2/h7-13,20H,6H2,1-5H3
InChIKeyKSDHFZSTMGBNSA-UHFFFAOYSA-N
XLogP4.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide
CID 43021239
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30877349
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
CID 76870673
5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide
CID 115279308
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
CID 35154636
4-amino-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]butanamide;hydrochloride
CID 119264847
2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26852031
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-3-carboxamide
CID 30484505
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-difluorobenzamide
CID 43030214

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide (CID 7938594) is 5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1.
What is the InChIKey of 5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is KSDHFZSTMGBNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-6-23-17-11-9-16(10-12-17)20-24(21,22)18-13-15(19(3,4)5)8-7-14(18)2/h7-13,20H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide?
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 347.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 7938594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).