4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide

C11H18N4O5S — CID 64605293

IUPAC4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H18N4O5S/c1-8(5-6-20-2)14-21(18,19)9-3-4-10(13-12)11(7-9)15(16)17/h3-4,7-8,13-14H,5-6,12H2,1-2H3
InChIKeyHZYIRJYAOFEYDF-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.58
Rot. Bonds8

About 4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide

4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide (PubChem CID 64605293) has the molecular formula C11H18N4O5S and a molecular weight of 318.36 g/mol. Its IUPAC name is 4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
PubChem CID64605293
Molecular FormulaC11H18N4O5S
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H18N4O5S/c1-8(5-6-20-2)14-21(18,19)9-3-4-10(13-12)11(7-9)15(16)17/h3-4,7-8,13-14H,5-6,12H2,1-2H3
InChIKeyHZYIRJYAOFEYDF-UHFFFAOYSA-N
XLogP0.58
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.58
H-Bond Donors ≤ 53
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

N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
4-hydroxy-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64604894
3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
CID 82854516
N-(4-methoxybutan-2-yl)-4-methylsulfonyl-2-nitroaniline
CID 62733285
N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847825
4-amino-3-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64601232
2-hydrazinyl-N-(4-methoxybutan-2-yl)pyridine-4-sulfonamide
CID 64605294
4-[(4-methoxyphenyl)methylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide
CID 9282068
N-(4-hydroxybutan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 115477856
N-[(2S)-1-methoxypropan-2-yl]-3-nitro-4-phenylsulfanylbenzenesulfonamide
CID 9279167
2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide (CID 64605293) is 4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide is COCCC(C)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide?
The InChIKey is HZYIRJYAOFEYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5S/c1-8(5-6-20-2)14-21(18,19)9-3-4-10(13-12)11(7-9)15(16)17/h3-4,7-8,13-14H,5-6,12H2,1-2H3.
What are the key properties of 4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide?
4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide has a molecular weight of 318.36 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 64605293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).