4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide

C15H19N3O2S — CID 60822489

IUPAC4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ncccc2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-16-11-13-6-8-14(9-7-13)21(19,20)18-15-12(2)5-4-10-17-15/h4-10,16H,3,11H2,1-2H3,(H,17,18)
InChIKeyMPUPSQNCWHOFIQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.30
Rot. Bonds6

About 4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide

4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 60822489) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID60822489
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2ncccc2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-16-11-13-6-8-14(9-7-13)21(19,20)18-15-12(2)5-4-10-17-15/h4-10,16H,3,11H2,1-2H3,(H,17,18)
InChIKeyMPUPSQNCWHOFIQ-UHFFFAOYSA-N
XLogP2.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]ethanethioamide
CID 79186142
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 62149767
4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365
4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 43095409
4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide
CID 60823106
(E)-3-[4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 6217942
4-(3-hydroxy-3-methylbut-1-ynyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 18758689
4-(ethylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822034
N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
CID 60873792
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)benzenesulfonamide
CID 102806229
4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide
CID 84563209

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 60822489) is 4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)Nc2ncccc2C)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is MPUPSQNCWHOFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-16-11-13-6-8-14(9-7-13)21(19,20)18-15-12(2)5-4-10-17-15/h4-10,16H,3,11H2,1-2H3,(H,17,18).
What are the key properties of 4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 60822489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).