N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide

C16H19NO4S — CID 893786

IUPACN-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C16H19NO4S/c1-4-21-14-7-5-13(6-8-14)17-22(18,19)15-9-10-16(20-3)12(2)11-15/h5-11,17H,4H2,1-3H3
InChIKeyYTGSMJOYEXDABL-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.20
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide

N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 893786) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID893786
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C16H19NO4S/c1-4-21-14-7-5-13(6-8-14)17-22(18,19)15-9-10-16(20-3)12(2)11-15/h5-11,17H,4H2,1-3H3
InChIKeyYTGSMJOYEXDABL-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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide (CID 893786) is N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is YTGSMJOYEXDABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-4-21-14-7-5-13(6-8-14)17-22(18,19)15-9-10-16(20-3)12(2)11-15/h5-11,17H,4H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(4-ethoxyphenyl)-4-methoxy-3-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-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 893786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).