N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide

C16H19NO4S — CID 50876640

IUPACN-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1OC
InChIInChI=1S/C16H19NO4S/c1-4-21-14-8-6-5-7-13(14)17-22(18,19)16-10-9-12(2)11-15(16)20-3/h5-11,17H,4H2,1-3H3
InChIKeyHJTLTGHRRBEBAZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.20
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide

N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 50876640) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
PubChem CID50876640
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1OC
InChIInChI=1S/C16H19NO4S/c1-4-21-14-8-6-5-7-13(14)17-22(18,19)16-10-9-12(2)11-15(16)20-3/h5-11,17H,4H2,1-3H3
InChIKeyHJTLTGHRRBEBAZ-UHFFFAOYSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 76506701
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 1260706
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 30058477

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide (CID 50876640) is N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1OC.
What is the InChIKey of N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is HJTLTGHRRBEBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-4-21-14-8-6-5-7-13(14)17-22(18,19)16-10-9-12(2)11-15(16)20-3/h5-11,17H,4H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide?
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 50876640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).