4-methylsulfanyl-N,N-dipropylbenzenesulfonamide

C13H21NO2S2 — CID 110759424

IUPAC4-methylsulfanyl-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C13H21NO2S2/c1-4-10-14(11-5-2)18(15,16)13-8-6-12(17-3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyWGFNFQWJCRRDAB-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.22
Rot. Bonds7

About 4-methylsulfanyl-N,N-dipropylbenzenesulfonamide

4-methylsulfanyl-N,N-dipropylbenzenesulfonamide (PubChem CID 110759424) has the molecular formula C13H21NO2S2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-methylsulfanyl-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfanyl-N,N-dipropylbenzenesulfonamide
PubChem CID110759424
Molecular FormulaC13H21NO2S2
Molecular Weight287.45 g/mol
Exact Mass287.10
IUPAC Name4-methylsulfanyl-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C13H21NO2S2/c1-4-10-14(11-5-2)18(15,16)13-8-6-12(17-3)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyWGFNFQWJCRRDAB-UHFFFAOYSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-methylsulfanyl-N,N-dipropylbenzenesulfonamide (CID 110759424) is 4-methylsulfanyl-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-methylsulfanyl-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-methylsulfanyl-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of 4-methylsulfanyl-N,N-dipropylbenzenesulfonamide?
The InChIKey is WGFNFQWJCRRDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S2/c1-4-10-14(11-5-2)18(15,16)13-8-6-12(17-3)7-9-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 4-methylsulfanyl-N,N-dipropylbenzenesulfonamide?
4-methylsulfanyl-N,N-dipropylbenzenesulfonamide has a molecular weight of 287.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 110759424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).