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

C15H19N3O2S — CID 106087992

IUPAC2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)Nc2cncc(C)c2)c1
InChIInChI=1S/C15H19N3O2S/c1-11-6-14(10-17-8-11)18-21(19,20)15-7-13(9-16-3)5-4-12(15)2/h4-8,10,16,18H,9H2,1-3H3
InChIKeyDKWGDQGEVCZXET-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.22
Rot. Bonds5

About 2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide

2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 106087992) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID106087992
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)Nc2cncc(C)c2)c1
InChIInChI=1S/C15H19N3O2S/c1-11-6-14(10-17-8-11)18-21(19,20)15-7-13(9-16-3)5-4-12(15)2/h4-8,10,16,18H,9H2,1-3H3
InChIKeyDKWGDQGEVCZXET-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-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088068
N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106061352
5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 103739261
4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088073
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584612
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 106087977
N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106060591
5-(aminomethyl)-2-ethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088022
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106030183
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 106087992) is 2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide is CNCc1ccc(C)c(S(=O)(=O)Nc2cncc(C)c2)c1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is DKWGDQGEVCZXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-6-14(10-17-8-11)18-21(19,20)15-7-13(9-16-3)5-4-12(15)2/h4-8,10,16,18H,9H2,1-3H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
2-methyl-5-(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 2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106087992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).