2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

C14H18N4O2S — CID 114957448

IUPAC2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCc1cnccc1C
InChIInChI=1S/C14H18N4O2S/c1-3-16-14-13(5-4-7-17-14)21(19,20)18-10-12-9-15-8-6-11(12)2/h4-9,18H,3,10H2,1-2H3,(H,16,17)
InChIKeyZVVSZTJMPNOWJN-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.70
Rot. Bonds6

About 2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 114957448) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID114957448
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCc1cnccc1C
InChIInChI=1S/C14H18N4O2S/c1-3-16-14-13(5-4-7-17-14)21(19,20)18-10-12-9-15-8-6-11(12)2/h4-9,18H,3,10H2,1-2H3,(H,16,17)
InChIKeyZVVSZTJMPNOWJN-UHFFFAOYSA-N
XLogP1.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957452
3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954460
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 114957515
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502
N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62147776
2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
4-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957462
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
2-(ethylamino)-N-pyridin-4-ylpyridine-3-sulfonamide
CID 62143000
2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 55174098
2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82875234

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (CID 114957448) is 2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)NCc1cnccc1C.
What is the InChIKey of 2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is ZVVSZTJMPNOWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-16-14-13(5-4-7-17-14)21(19,20)18-10-12-9-15-8-6-11(12)2/h4-9,18H,3,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114957448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).