[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide

C14H17N3O3S — CID 103347632

IUPAC[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide
SMILESCOc1cccc(CNc2ccc(CS(N)(=O)=O)cc2)n1
InChIInChI=1S/C14H17N3O3S/c1-20-14-4-2-3-13(17-14)9-16-12-7-5-11(6-8-12)10-21(15,18)19/h2-8,16H,9-10H2,1H3,(H2,15,18,19)
InChIKeyCFIUHNQCWOQBQZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.49
Rot. Bonds6

About [4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide

[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide (PubChem CID 103347632) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is [4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide
PubChem CID103347632
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide
SMILESCOc1cccc(CNc2ccc(CS(N)(=O)=O)cc2)n1
InChIInChI=1S/C14H17N3O3S/c1-20-14-4-2-3-13(17-14)9-16-12-7-5-11(6-8-12)10-21(15,18)19/h2-8,16H,9-10H2,1H3,(H2,15,18,19)
InChIKeyCFIUHNQCWOQBQZ-UHFFFAOYSA-N
XLogP1.49
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide (CID 103347632) is [4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide is COc1cccc(CNc2ccc(CS(N)(=O)=O)cc2)n1.
What is the InChIKey of [4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is CFIUHNQCWOQBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-14-4-2-3-13(17-14)9-16-12-7-5-11(6-8-12)10-21(15,18)19/h2-8,16H,9-10H2,1H3,(H2,15,18,19).
What are the key properties of [4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide?
[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 103347632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).