2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate

C9H13N5O6S — CID 83205612

IUPAC2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate
SMILESNNc1ccc(S(=O)(=O)NCCOC(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H13N5O6S/c10-9(15)20-4-3-12-21(18,19)8-2-1-6(13-11)5-7(8)14(16)17/h1-2,5,12-13H,3-4,11H2,(H2,10,15)
InChIKeyIGRULEXNKHVKMJ-UHFFFAOYSA-N
MW319.30 g/mol
LogP-0.75
Rot. Bonds7

About 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate

2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate (PubChem CID 83205612) has the molecular formula C9H13N5O6S and a molecular weight of 319.30 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate
PubChem CID83205612
Molecular FormulaC9H13N5O6S
Molecular Weight319.30 g/mol
Exact Mass319.06
IUPAC Name2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate
SMILESNNc1ccc(S(=O)(=O)NCCOC(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H13N5O6S/c10-9(15)20-4-3-12-21(18,19)8-2-1-6(13-11)5-7(8)14(16)17/h1-2,5,12-13H,3-4,11H2,(H2,10,15)
InChIKeyIGRULEXNKHVKMJ-UHFFFAOYSA-N
XLogP-0.75
TPSA179.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide
CID 43545770
4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004068
N-(2,3-dimethylbutyl)-4-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598177
4-(methylamino)-2-nitro-N-propylbenzenesulfonamide
CID 62148432
4-(ethylamino)-N-(3-methoxypropyl)-2-nitrobenzenesulfonamide
CID 62145300
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
N-butyl-4-(ethylamino)-2-nitrobenzenesulfonamide
CID 62148528
N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60989360
2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
CID 83203795
4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 43502076
2-[(5-bromo-2-nitrophenyl)sulfonylamino]ethylurea
CID 83110096
3-bromo-4-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83201896

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate (CID 83205612) is 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate is NNc1ccc(S(=O)(=O)NCCOC(N)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate?
The InChIKey is IGRULEXNKHVKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O6S/c10-9(15)20-4-3-12-21(18,19)8-2-1-6(13-11)5-7(8)14(16)17/h1-2,5,12-13H,3-4,11H2,(H2,10,15).
What are the key properties of 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate?
2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate has a molecular weight of 319.30 g/mol, XLogP of -0.75, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83205612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).