4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide

C16H21N3O2S — CID 146103458

IUPAC4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(CNc2cc(C)c(S(N)(=O)=O)cc2C)c(C)n1
InChIInChI=1S/C16H21N3O2S/c1-10-8-16(22(17,20)21)11(2)7-15(10)18-9-14-6-5-12(3)19-13(14)4/h5-8,18H,9H2,1-4H3,(H2,17,20,21)
InChIKeyRLDDTWCFSXEQHF-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.57
Rot. Bonds4

About 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide

4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 146103458) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide
PubChem CID146103458
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(CNc2cc(C)c(S(N)(=O)=O)cc2C)c(C)n1
InChIInChI=1S/C16H21N3O2S/c1-10-8-16(22(17,20)21)11(2)7-15(10)18-9-14-6-5-12(3)19-13(14)4/h5-8,18H,9H2,1-4H3,(H2,17,20,21)
InChIKeyRLDDTWCFSXEQHF-UHFFFAOYSA-N
XLogP2.57
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide (CID 146103458) is 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide is Cc1ccc(CNc2cc(C)c(S(N)(=O)=O)cc2C)c(C)n1.
What is the InChIKey of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is RLDDTWCFSXEQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10-8-16(22(17,20)21)11(2)7-15(10)18-9-14-6-5-12(3)19-13(14)4/h5-8,18H,9H2,1-4H3,(H2,17,20,21).
What are the key properties of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide?
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 146103458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).