(4-methoxyphenyl)methylsulfanylmethanesulfonamide

C9H13NO3S2 — CID 14460406

IUPAC(4-methoxyphenyl)methylsulfanylmethanesulfonamide
SMILESCOc1ccc(CSCS(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO3S2/c1-13-9-4-2-8(3-5-9)6-14-7-15(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
InChIKeyMEVLZGJJNDLMNW-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.17
Rot. Bonds5

About (4-methoxyphenyl)methylsulfanylmethanesulfonamide

(4-methoxyphenyl)methylsulfanylmethanesulfonamide (PubChem CID 14460406) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-methoxyphenyl)methylsulfanylmethanesulfonamide.

Molecular Properties

Compound Name(4-methoxyphenyl)methylsulfanylmethanesulfonamide
PubChem CID14460406
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name(4-methoxyphenyl)methylsulfanylmethanesulfonamide
SMILESCOc1ccc(CSCS(N)(=O)=O)cc1
InChIInChI=1S/C9H13NO3S2/c1-13-9-4-2-8(3-5-9)6-14-7-15(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
InChIKeyMEVLZGJJNDLMNW-UHFFFAOYSA-N
XLogP1.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methylsulfanylmethanesulfonamide?
The IUPAC name of (4-methoxyphenyl)methylsulfanylmethanesulfonamide (CID 14460406) is (4-methoxyphenyl)methylsulfanylmethanesulfonamide.
What is the SMILES notation for (4-methoxyphenyl)methylsulfanylmethanesulfonamide?
The canonical SMILES for (4-methoxyphenyl)methylsulfanylmethanesulfonamide is COc1ccc(CSCS(N)(=O)=O)cc1.
What is the InChIKey of (4-methoxyphenyl)methylsulfanylmethanesulfonamide?
The InChIKey is MEVLZGJJNDLMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-13-9-4-2-8(3-5-9)6-14-7-15(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12).
What are the key properties of (4-methoxyphenyl)methylsulfanylmethanesulfonamide?
(4-methoxyphenyl)methylsulfanylmethanesulfonamide has a molecular weight of 247.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methylsulfanylmethanesulfonamide is sourced from PubChem (CID 14460406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).