N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide

C14H15NO3S2 — CID 973953

IUPACN-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C14H15NO3S2/c1-18-12-5-3-11(4-6-12)15-20(16,17)14-9-7-13(19-2)8-10-14/h3-10,15H,1-2H3
InChIKeyMJPGGWHWILPONZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.22
Rot. Bonds5

About N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide

N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 973953) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID973953
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC NameN-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C14H15NO3S2/c1-18-12-5-3-11(4-6-12)15-20(16,17)14-9-7-13(19-2)8-10-14/h3-10,15H,1-2H3
InChIKeyMJPGGWHWILPONZ-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide (CID 973953) is N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is MJPGGWHWILPONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-18-12-5-3-11(4-6-12)15-20(16,17)14-9-7-13(19-2)8-10-14/h3-10,15H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 309.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 973953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).