N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide

C10H14N4O4S — CID 43325324

IUPACN-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C10H14N4O4S/c11-13-9-4-3-8(14(15)16)5-10(9)19(17,18)12-6-7-1-2-7/h3-5,7,12-13H,1-2,6,11H2
InChIKeyVNDCFMNOZOATJJ-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.57
Rot. Bonds6

About N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide

N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide (PubChem CID 43325324) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
PubChem CID43325324
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC NameN-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C10H14N4O4S/c11-13-9-4-3-8(14(15)16)5-10(9)19(17,18)12-6-7-1-2-7/h3-5,7,12-13H,1-2,6,11H2
InChIKeyVNDCFMNOZOATJJ-UHFFFAOYSA-N
XLogP0.57
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.57
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

2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide
CID 62143602
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
N-(cyclopropylmethyl)-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62149900
2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 43552599
2-amino-N-(cyclopentylmethyl)-4-nitrobenzenesulfonamide
CID 62143603
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985987
2-chloro-5-nitro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63711095
2-amino-4-nitro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63706934
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
2-(methylamino)-5-nitro-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80584147
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide
CID 64531575

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide (CID 43325324) is N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide is NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide?
The InChIKey is VNDCFMNOZOATJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c11-13-9-4-3-8(14(15)16)5-10(9)19(17,18)12-6-7-1-2-7/h3-5,7,12-13H,1-2,6,11H2.
What are the key properties of N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide?
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide has a molecular weight of 286.31 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43325324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).