6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide

C14H15F2N3O2S2 — CID 46888137

IUPAC6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide
SMILESCCNCc1cc(S(N)(=O)=O)cnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O2S2/c1-2-18-7-9-5-11(23(17,20)21)8-19-14(9)22-10-3-4-12(15)13(16)6-10/h3-6,8,18H,2,7H2,1H3,(H2,17,20,21)
InChIKeyGXDPLMDIWGKEAT-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.27
Rot. Bonds6

About 6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide

6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide (PubChem CID 46888137) has the molecular formula C14H15F2N3O2S2 and a molecular weight of 359.42 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide
PubChem CID46888137
Molecular FormulaC14H15F2N3O2S2
Molecular Weight359.42 g/mol
Exact Mass359.06
IUPAC Name6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide
SMILESCCNCc1cc(S(N)(=O)=O)cnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O2S2/c1-2-18-7-9-5-11(23(17,20)21)8-19-14(9)22-10-3-4-12(15)13(16)6-10/h3-6,8,18H,2,7H2,1H3,(H2,17,20,21)
InChIKeyGXDPLMDIWGKEAT-UHFFFAOYSA-N
XLogP2.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide (CID 46888137) is 6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide is CCNCc1cc(S(N)(=O)=O)cnc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide?
The InChIKey is GXDPLMDIWGKEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S2/c1-2-18-7-9-5-11(23(17,20)21)8-19-14(9)22-10-3-4-12(15)13(16)6-10/h3-6,8,18H,2,7H2,1H3,(H2,17,20,21).
What are the key properties of 6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide?
6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide has a molecular weight of 359.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)sulfanyl-5-(ethylaminomethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 46888137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).