4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C15H19N3O2S — CID 106088073

IUPAC4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cncc(C)c2)ccc1C
InChIInChI=1S/C15H19N3O2S/c1-11-6-14(10-17-8-11)18-21(19,20)15-5-4-12(2)13(7-15)9-16-3/h4-8,10,16,18H,9H2,1-3H3
InChIKeyOAKQBEMBCVLGAM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.22
Rot. Bonds5

About 4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide

4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 106088073) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID106088073
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cncc(C)c2)ccc1C
InChIInChI=1S/C15H19N3O2S/c1-11-6-14(10-17-8-11)18-21(19,20)15-5-4-12(2)13(7-15)9-16-3/h4-8,10,16,18H,9H2,1-3H3
InChIKeyOAKQBEMBCVLGAM-UHFFFAOYSA-N
XLogP2.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106087992
3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727340
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110727348
N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106062209
4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343
4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088068
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 106087977
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 106088073) is 4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)Nc2cncc(C)c2)ccc1C.
What is the InChIKey of 4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is OAKQBEMBCVLGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-6-14(10-17-8-11)18-21(19,20)15-5-4-12(2)13(7-15)9-16-3/h4-8,10,16,18H,9H2,1-3H3.
What are the key properties of 4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106088073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).