N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide

C18H21FN4O2S2 — CID 42912696

IUPACN,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C2\CCSc3ccc(F)cc32)nc1
InChIInChI=1S/C18H21FN4O2S2/c1-3-23(4-2)27(24,25)14-6-8-18(20-12-14)22-21-16-9-10-26-17-7-5-13(19)11-15(16)17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,22)/b21-16+
InChIKeyJFGPQQBVZAVAGG-LTGZKZEYSA-N
MW408.52 g/mol
LogP3.56
Rot. Bonds6

About N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide

N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide (PubChem CID 42912696) has the molecular formula C18H21FN4O2S2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide
PubChem CID42912696
Molecular FormulaC18H21FN4O2S2
Molecular Weight408.52 g/mol
Exact Mass408.11
IUPAC NameN,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C2\CCSc3ccc(F)cc32)nc1
InChIInChI=1S/C18H21FN4O2S2/c1-3-23(4-2)27(24,25)14-6-8-18(20-12-14)22-21-16-9-10-26-17-7-5-13(19)11-15(16)17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,22)/b21-16+
InChIKeyJFGPQQBVZAVAGG-LTGZKZEYSA-N
XLogP3.56
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 6217618
N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 9665691
N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
CID 9668454
N,N-diethyl-6-[(2E)-2-(1-pyridin-3-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 9677341
N-[(E)-1-(3-bromophenyl)ethylideneamino]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 16273827
5-[4-[2-[(1,1-Dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]pyridin-2-amine
CID 90314060
N,N-diethyl-6-[(2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 9684250
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 3355664
CID 3429680
CID 3429680
N-[(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 4840461
N,N-diethyl-6-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 9676094
N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 53534095

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide (CID 42912696) is N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N/N=C2\CCSc3ccc(F)cc32)nc1.
What is the InChIKey of N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is JFGPQQBVZAVAGG-LTGZKZEYSA-N. The full InChI is InChI=1S/C18H21FN4O2S2/c1-3-23(4-2)27(24,25)14-6-8-18(20-12-14)22-21-16-9-10-26-17-7-5-13(19)11-15(16)17/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,22)/b21-16+.
What are the key properties of N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 408.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(2E)-2-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 42912696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).