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

C12H18N4O4S — CID 114548119

IUPAC4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])C1
InChIInChI=1S/C12H18N4O4S/c1-8-2-3-10(6-8)15-21(19,20)12-5-4-9(14-13)7-11(12)16(17)18/h4-5,7-8,10,14-15H,2-3,6,13H2,1H3
InChIKeyAGSATNHZEZVUBR-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.35
Rot. Bonds5

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

4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide (PubChem CID 114548119) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide
PubChem CID114548119
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])C1
InChIInChI=1S/C12H18N4O4S/c1-8-2-3-10(6-8)15-21(19,20)12-5-4-9(14-13)7-11(12)16(17)18/h4-5,7-8,10,14-15H,2-3,6,13H2,1H3
InChIKeyAGSATNHZEZVUBR-UHFFFAOYSA-N
XLogP1.35
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-cyclopentyl-4-(methylamino)-2-nitrobenzenesulfonamide
CID 62149673
2-methyl-N-(3-methylcyclopentyl)-5-nitrobenzenesulfonamide
CID 114545232
4-(methylamino)-2-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 62146487
4-chloro-N-cyclopropyl-2-nitrobenzenesulfonamide
CID 5188456
N-(2-methylcyclopropyl)-2-nitro-4-(propylamino)benzenesulfonamide
CID 62408264
N-(2,3-dimethylbutyl)-4-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598177
4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide
CID 113467300
2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide
CID 62146579
3-(methylamino)-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide
CID 114540123
N-(3-aminocyclobutyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43597678
N-(3-aminocyclobutyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43597679
2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide
CID 43545770

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide (CID 114548119) is 4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])C1.
What is the InChIKey of 4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide?
The InChIKey is AGSATNHZEZVUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-8-2-3-10(6-8)15-21(19,20)12-5-4-9(14-13)7-11(12)16(17)18/h4-5,7-8,10,14-15H,2-3,6,13H2,1H3.
What are the key properties of 4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide?
4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 114548119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).