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

C14H18N4O2S — CID 114957452

IUPAC4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ccncc1S(=O)(=O)NCc1cnccc1C
InChIInChI=1S/C14H18N4O2S/c1-3-17-13-5-7-16-10-14(13)21(19,20)18-9-12-8-15-6-4-11(12)2/h4-8,10,18H,3,9H2,1-2H3,(H,16,17)
InChIKeyHULGPXASKZBGDE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.70
Rot. Bonds6

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

4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 114957452) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID114957452
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ccncc1S(=O)(=O)NCc1cnccc1C
InChIInChI=1S/C14H18N4O2S/c1-3-17-13-5-7-16-10-14(13)21(19,20)18-9-12-8-15-6-4-11(12)2/h4-8,10,18H,3,9H2,1-2H3,(H,16,17)
InChIKeyHULGPXASKZBGDE-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-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957462
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957448
4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide
CID 106342226
3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954460
4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954417
2-amino-5-bromo-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954439
2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
4-(ethylamino)-N-(3-propoxypropyl)pyridine-3-sulfonamide
CID 82947585
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954391
3-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105071500
6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957445
2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956174

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (CID 114957452) is 4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is CCNc1ccncc1S(=O)(=O)NCc1cnccc1C.
What is the InChIKey of 4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is HULGPXASKZBGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-17-13-5-7-16-10-14(13)21(19,20)18-9-12-8-15-6-4-11(12)2/h4-8,10,18H,3,9H2,1-2H3,(H,16,17).
What are the key properties of 4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
4-(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 4-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114957452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).