[2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine

C10H14N4O5S2 — CID 115992827

IUPAC[2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine
SMILESNNc1cccc(S(=O)(=O)N2CCS(=O)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O5S2/c11-12-8-2-1-3-9(10(8)14(15)16)21(18,19)13-4-6-20(17)7-5-13/h1-3,12H,4-7,11H2
InChIKeyGWAARDCBZDRJKY-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.37
Rot. Bonds4

About [2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine

[2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine (PubChem CID 115992827) has the molecular formula C10H14N4O5S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine
PubChem CID115992827
Molecular FormulaC10H14N4O5S2
Molecular Weight334.38 g/mol
Exact Mass334.04
IUPAC Name[2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine
SMILESNNc1cccc(S(=O)(=O)N2CCS(=O)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O5S2/c11-12-8-2-1-3-9(10(8)14(15)16)21(18,19)13-4-6-20(17)7-5-13/h1-3,12H,4-7,11H2
InChIKeyGWAARDCBZDRJKY-UHFFFAOYSA-N
XLogP-0.37
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 112675174
4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 54975760
4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine
CID 47331572
N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
CID 115992755
3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 115992869
(2-nitro-3-piperidin-1-ylphenyl)hydrazine
CID 80913842
3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide
CID 115992966
N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
CID 115992675
N-methyl-2-nitro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 62157480
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956

Frequently Asked Questions

What is the IUPAC name of [2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine?
The IUPAC name of [2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine (CID 115992827) is [2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine.
What is the SMILES notation for [2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine?
The canonical SMILES for [2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine is NNc1cccc(S(=O)(=O)N2CCS(=O)CC2)c1[N+](=O)[O-].
What is the InChIKey of [2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine?
The InChIKey is GWAARDCBZDRJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S2/c11-12-8-2-1-3-9(10(8)14(15)16)21(18,19)13-4-6-20(17)7-5-13/h1-3,12H,4-7,11H2.
What are the key properties of [2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine?
[2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine has a molecular weight of 334.38 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine is sourced from PubChem (CID 115992827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).