N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide

C15H17NO4S2 — CID 967326

IUPACN-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)c(OC)c1
InChIInChI=1S/C15H17NO4S2/c1-19-11-4-9-14(15(10-11)20-2)16-22(17,18)13-7-5-12(21-3)6-8-13/h4-10,16H,1-3H3
InChIKeyJOGIFHWLWNVQNR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.23
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide

N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 967326) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID967326
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC NameN-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)c(OC)c1
InChIInChI=1S/C15H17NO4S2/c1-19-11-4-9-14(15(10-11)20-2)16-22(17,18)13-7-5-12(21-3)6-8-13/h4-10,16H,1-3H3
InChIKeyJOGIFHWLWNVQNR-UHFFFAOYSA-N
XLogP3.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 743731
CID 743731
CID 973953
CID 973953
CID 54757202
CID 54757202
CID 765893
CID 765893
CID 967259
CID 967259
CID 4519474
CID 4519474
CID 134138057
CID 134138057
CID 134156383
CID 134156383
CID 166626417
CID 166626417
CID 966872
CID 966872
CID 2226199
CID 2226199
CID 23275999
CID 23275999

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide (CID 967326) is N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(SC)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is JOGIFHWLWNVQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-19-11-4-9-14(15(10-11)20-2)16-22(17,18)13-7-5-12(21-3)6-8-13/h4-10,16H,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide?
N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 339.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 967326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).