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

C14H17N3O2S — CID 106063067

IUPAC3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2cnccc2C)c1
InChIInChI=1S/C14H17N3O2S/c1-11-6-7-16-10-14(11)17-20(18,19)13-5-3-4-12(8-13)9-15-2/h3-8,10,15,17H,9H2,1-2H3
InChIKeyXWMRYZKMEXFVRH-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.91
Rot. Bonds5

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

3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 106063067) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID106063067
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2cnccc2C)c1
InChIInChI=1S/C14H17N3O2S/c1-11-6-7-16-10-14(11)17-20(18,19)13-5-3-4-12(8-13)9-15-2/h3-8,10,15,17H,9H2,1-2H3
InChIKeyXWMRYZKMEXFVRH-UHFFFAOYSA-N
XLogP1.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106090021
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083517
2-methyl-3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063193
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061147
N-(2,3-difluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106017374
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029553
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106006523
N-(4-chlorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106060719

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 106063067) is 3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)Nc2cnccc2C)c1.
What is the InChIKey of 3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is XWMRYZKMEXFVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-6-7-16-10-14(11)17-20(18,19)13-5-3-4-12(8-13)9-15-2/h3-8,10,15,17H,9H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106063067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).