2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide

C7H10N4O4S — CID 43142196

IUPAC2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C7H10N4O4S/c1-9-16(14,15)7-3-2-5(11(12)13)4-6(7)10-8/h2-4,9-10H,8H2,1H3
InChIKeyCWRHYWCUIHRYQL-UHFFFAOYSA-N
MW246.25 g/mol
LogP-0.21
Rot. Bonds4

About 2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide

2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide (PubChem CID 43142196) has the molecular formula C7H10N4O4S and a molecular weight of 246.25 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
PubChem CID43142196
Molecular FormulaC7H10N4O4S
Molecular Weight246.25 g/mol
Exact Mass246.04
IUPAC Name2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C7H10N4O4S/c1-9-16(14,15)7-3-2-5(11(12)13)4-6(7)10-8/h2-4,9-10H,8H2,1H3
InChIKeyCWRHYWCUIHRYQL-UHFFFAOYSA-N
XLogP-0.21
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 5-0.21
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-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 43325303
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651
N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62150039
2-ethyl-N-methyl-4-nitrobenzenesulfonamide
CID 158476793
2-hydrazinyl-N-morpholin-4-yl-4-nitrobenzenesulfonamide
CID 83018414
N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide
CID 62635669
2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114388268
2-(methylamino)-4-nitrobenzenesulfonamide
CID 62144576
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43267398

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide (CID 43142196) is 2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide is CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN.
What is the InChIKey of 2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The InChIKey is CWRHYWCUIHRYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4S/c1-9-16(14,15)7-3-2-5(11(12)13)4-6(7)10-8/h2-4,9-10H,8H2,1H3.
What are the key properties of 2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide has a molecular weight of 246.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 43142196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).