3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide

C12H20N4O4S — CID 115992956

IUPAC3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O4S/c1-9(2)5-4-8-14-21(19,20)11-7-3-6-10(15-13)12(11)16(17)18/h3,6-7,9,14-15H,4-5,8,13H2,1-2H3
InChIKeyYBWHZLMVZPUELT-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.59
Rot. Bonds8

About 3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide

3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide (PubChem CID 115992956) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
PubChem CID115992956
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N4O4S/c1-9(2)5-4-8-14-21(19,20)11-7-3-6-10(15-13)12(11)16(17)18/h3,6-7,9,14-15H,4-5,8,13H2,1-2H3
InChIKeyYBWHZLMVZPUELT-UHFFFAOYSA-N
XLogP1.59
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-amino-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115993613
3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795
2-hydrazinyl-N-(5-methylhexyl)benzenesulfonamide
CID 113287642
N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 3322272
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004068
3-hydrazinyl-N-(6-methylheptan-2-yl)-2-nitroaniline
CID 80897164
3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 112675174
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
3-[[3-(methylamino)-2-nitrophenyl]sulfonylamino]propanamide
CID 115993408
5-amino-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004393

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide (CID 115992956) is 3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide is CC(C)CCCNS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide?
The InChIKey is YBWHZLMVZPUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-9(2)5-4-8-14-21(19,20)11-7-3-6-10(15-13)12(11)16(17)18/h3,6-7,9,14-15H,4-5,8,13H2,1-2H3.
What are the key properties of 3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide?
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 115992956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).