2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide

C8H13N5O6S2 — CID 43552599

IUPAC2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H13N5O6S2/c9-12-7-2-1-6(13(14)15)5-8(7)21(18,19)11-3-4-20(10,16)17/h1-2,5,11-12H,3-4,9H2,(H2,10,16,17)
InChIKeyBWYOIJBNRPCMGA-UHFFFAOYSA-N
MW339.36 g/mol
LogP-1.55
Rot. Bonds7

About 2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide

2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide (PubChem CID 43552599) has the molecular formula C8H13N5O6S2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
PubChem CID43552599
Molecular FormulaC8H13N5O6S2
Molecular Weight339.36 g/mol
Exact Mass339.03
IUPAC Name2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C8H13N5O6S2/c9-12-7-2-1-6(13(14)15)5-8(7)21(18,19)11-3-4-20(10,16)17/h1-2,5,11-12H,3-4,9H2,(H2,10,16,17)
InChIKeyBWYOIJBNRPCMGA-UHFFFAOYSA-N
XLogP-1.55
TPSA187.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
2-(2-cyano-4-nitroanilino)ethanesulfonamide
CID 43552415
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzenesulfonamide
CID 64531575
2-fluoro-4-nitro-N-(3-sulfamoylpropyl)benzenesulfonamide
CID 61226075
2-[2-(difluoromethyl)-4-nitroanilino]ethanesulfonamide
CID 63748992
N-butyl-2-(ethylamino)-5-nitrobenzenesulfonamide
CID 62148698
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
3-(2,4-dinitroanilino)propane-1-sulfonamide
CID 61063868
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
2-chloro-N-(2-methylsulfonylethyl)-5-nitrobenzenesulfonamide
CID 60918252
2-(methylamino)-5-nitro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 63227659

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide?
The IUPAC name of 2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide (CID 43552599) is 2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide is NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCS(N)(=O)=O.
What is the InChIKey of 2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide?
The InChIKey is BWYOIJBNRPCMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O6S2/c9-12-7-2-1-6(13(14)15)5-8(7)21(18,19)11-3-4-20(10,16)17/h1-2,5,11-12H,3-4,9H2,(H2,10,16,17).
What are the key properties of 2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide?
2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide has a molecular weight of 339.36 g/mol, XLogP of -1.55, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide is sourced from PubChem (CID 43552599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).