N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide

C15H17NO3S — CID 2442232

IUPACN-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C15H17NO3S/c1-11-4-5-12(2)15(10-11)20(17,18)16-13-6-8-14(19-3)9-7-13/h4-10,16H,1-3H3
InChIKeyUTNUJGTYOGFMDO-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.11
Rot. Bonds4

About N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide

N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 2442232) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID2442232
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C15H17NO3S/c1-11-4-5-12(2)15(10-11)20(17,18)16-13-6-8-14(19-3)9-7-13/h4-10,16H,1-3H3
InChIKeyUTNUJGTYOGFMDO-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide (CID 2442232) is N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is UTNUJGTYOGFMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-4-5-12(2)15(10-11)20(17,18)16-13-6-8-14(19-3)9-7-13/h4-10,16H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2442232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).