N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide

C20H20N2O3S2 — CID 7759724

IUPACN,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(SCc2ccccc2Oc2ccccc2)nc1
InChIInChI=1S/C20H20N2O3S2/c1-22(2)27(23,24)18-12-13-20(21-14-18)26-15-16-8-6-7-11-19(16)25-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3
InChIKeyAZYRMNBQUHEJNX-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.42
Rot. Bonds7

About N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide

N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide (PubChem CID 7759724) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide
PubChem CID7759724
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(SCc2ccccc2Oc2ccccc2)nc1
InChIInChI=1S/C20H20N2O3S2/c1-22(2)27(23,24)18-12-13-20(21-14-18)26-15-16-8-6-7-11-19(16)25-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3
InChIKeyAZYRMNBQUHEJNX-UHFFFAOYSA-N
XLogP4.42
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide (CID 7759724) is N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(SCc2ccccc2Oc2ccccc2)nc1.
What is the InChIKey of N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide?
The InChIKey is AZYRMNBQUHEJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-22(2)27(23,24)18-12-13-20(21-14-18)26-15-16-8-6-7-11-19(16)25-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide?
N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide has a molecular weight of 400.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7759724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).