N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide

C15H21N5O2S — CID 135558300

IUPACN,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc[nH]2)nc1
InChIInChI=1S/C15H21N5O2S/c1-4-20(5-2)23(21,22)13-8-9-15(17-11-13)19-18-12(3)14-7-6-10-16-14/h6-11,16H,4-5H2,1-3H3,(H,17,19)/b18-12+
InChIKeyTZAPFOYKAMAWND-LDADJPATSA-N
MW335.43 g/mol
LogP2.28
Rot. Bonds7

About N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide

N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide (PubChem CID 135558300) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
PubChem CID135558300
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc[nH]2)nc1
InChIInChI=1S/C15H21N5O2S/c1-4-20(5-2)23(21,22)13-8-9-15(17-11-13)19-18-12(3)14-7-6-10-16-14/h6-11,16H,4-5H2,1-3H3,(H,17,19)/b18-12+
InChIKeyTZAPFOYKAMAWND-LDADJPATSA-N
XLogP2.28
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-hydrazinylpyridine-3-sulfonamide
CID 3863748
N-ethyl-6-hydrazinyl-N-phenylpyridine-3-sulfonamide
CID 2095679
2-Hydrazinyl-5-(piperidine-1-sulfonyl)pyridine
CID 2120283
6-hydrazinyl-N,N-bis(propan-2-yl)pyridine-3-sulfonamide
CID 2120285
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-pyridin-2-ylpiperazine
CID 3242905
N,N-diethyl-6-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 9677341
N,N-diethyl-6-(pyridin-2-ylmethylamino)pyridine-3-sulfonamide
CID 4799617
N,N-diethyl-6-(2-pyridin-2-ylethylamino)pyridine-3-sulfonamide
CID 4825866
US9156811, Ddd85629
CID 57393583
6-Hydrazinylpyridine-3-sulfonamide
CID 12096590
N,N-diethyl-6-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 9643022
N,N-diethyl-6-[(2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 9684250

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide (CID 135558300) is N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccc[nH]2)nc1.
What is the InChIKey of N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is TZAPFOYKAMAWND-LDADJPATSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-4-20(5-2)23(21,22)13-8-9-15(17-11-13)19-18-12(3)14-7-6-10-16-14/h6-11,16H,4-5H2,1-3H3,(H,17,19)/b18-12+.
What are the key properties of N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(2E)-2-[1-(1H-pyrrol-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 135558300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).