2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide

C13H15N3O2S — CID 114956651

IUPAC2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
SMILESCc1ccncc1CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H15N3O2S/c1-10-6-7-15-8-11(10)9-16-12-4-2-3-5-13(12)19(14,17)18/h2-8,16H,9H2,1H3,(H2,14,17,18)
InChIKeyJJWDCOXXEZHLCU-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.65
Rot. Bonds4

About 2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide

2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide (PubChem CID 114956651) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
PubChem CID114956651
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
SMILESCc1ccncc1CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C13H15N3O2S/c1-10-6-7-15-8-11(10)9-16-12-4-2-3-5-13(12)19(14,17)18/h2-8,16H,9H2,1H3,(H2,14,17,18)
InChIKeyJJWDCOXXEZHLCU-UHFFFAOYSA-N
XLogP1.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The IUPAC name of 2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide (CID 114956651) is 2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide is Cc1ccncc1CNc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The InChIKey is JJWDCOXXEZHLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-6-7-15-8-11(10)9-16-12-4-2-3-5-13(12)19(14,17)18/h2-8,16H,9H2,1H3,(H2,14,17,18).
What are the key properties of 2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 114956651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).