N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide

C17H21N5O5S2 — CID 126509045

IUPACN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide
SMILESNNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)N2CCS(=O)(=O)CC2)nc1
InChIInChI=1S/C17H21N5O5S2/c18-20-17(23)14-6-7-15(19-12-14)13-22(16-4-2-1-3-5-16)29(26,27)21-8-10-28(24,25)11-9-21/h1-7,12H,8-11,13,18H2,(H,20,23)
InChIKeyFOPLASVJJVASDO-UHFFFAOYSA-N
MW439.52 g/mol
LogP-0.33
Rot. Bonds6

About N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide

N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide (PubChem CID 126509045) has the molecular formula C17H21N5O5S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide.

Molecular Properties

Compound NameN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide
PubChem CID126509045
Molecular FormulaC17H21N5O5S2
Molecular Weight439.52 g/mol
Exact Mass439.10
IUPAC NameN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide
SMILESNNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)N2CCS(=O)(=O)CC2)nc1
InChIInChI=1S/C17H21N5O5S2/c18-20-17(23)14-6-7-15(19-12-14)13-22(16-4-2-1-3-5-16)29(26,27)21-8-10-28(24,25)11-9-21/h1-7,12H,8-11,13,18H2,(H,20,23)
InChIKeyFOPLASVJJVASDO-UHFFFAOYSA-N
XLogP-0.33
TPSA142.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-1,4-thiazinane-4-sulfonamide
CID 126508848
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-phenoxyphenyl)-1,4-thiazinane-4-carboxamide
CID 140894505
2,2-difluoro-N-[2-[6-[(N-(4-methylpiperazin-1-yl)sulfonylanilino)methyl]-3-pyridinyl]-2-oxoethyl]acetamide
CID 158652047
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584348
methyl 6-[(N-[(3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl]sulfonylanilino)methyl]pyridine-3-carboxylate
CID 126545796
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 140894947
methyl 6-[(N-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anilino)methyl]pyridine-3-carboxylate
CID 140894648
(3R)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-3-methyl-N-(3-methylphenyl)-4-(oxetan-3-yl)piperazine-1-sulfonamide
CID 126508745
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-3-methyl-N-(3-methylphenyl)-4-(oxetan-3-yl)piperazine-1-sulfonamide
CID 126508121
methyl 6-[(N-(1-methylpiperidin-4-yl)sulfonylanilino)methyl]pyridine-3-carboxylate
CID 126541031
N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
CID 140894118
6-[(3-chloro-N-[(3R)-3,4-dimethylpiperazin-1-yl]sulfonylanilino)methyl]pyridine-3-carboxylic acid
CID 175179247

Frequently Asked Questions

What is the IUPAC name of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide?
The IUPAC name of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide (CID 126509045) is N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide.
What is the SMILES notation for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide?
The canonical SMILES for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide is NNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)N2CCS(=O)(=O)CC2)nc1.
What is the InChIKey of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide?
The InChIKey is FOPLASVJJVASDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5S2/c18-20-17(23)14-6-7-15(19-12-14)13-22(16-4-2-1-3-5-16)29(26,27)21-8-10-28(24,25)11-9-21/h1-7,12H,8-11,13,18H2,(H,20,23).
What are the key properties of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide?
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide has a molecular weight of 439.52 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide is sourced from PubChem (CID 126509045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).