2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide

C11H18N4O4S — CID 43325303

IUPAC2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H18N4O4S/c1-3-8(4-2)14-20(18,19)11-6-5-9(15(16)17)7-10(11)13-12/h5-8,13-14H,3-4,12H2,1-2H3
InChIKeyQXWCTZJZYXMJOZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.35
Rot. Bonds7

About 2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide

2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide (PubChem CID 43325303) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
PubChem CID43325303
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H18N4O4S/c1-3-8(4-2)14-20(18,19)11-6-5-9(15(16)17)7-10(11)13-12/h5-8,13-14H,3-4,12H2,1-2H3
InChIKeyQXWCTZJZYXMJOZ-UHFFFAOYSA-N
XLogP1.35
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
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

2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
2-(ethylamino)-5-nitro-N-pentan-3-ylbenzenesulfonamide
CID 62149857
4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 885109
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-4-nitrobenzenesulfonamide
CID 103918620
N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide
CID 62635669
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]-5-nitrobenzenesulfonamide
CID 104982011
2-hydrazinyl-4-nitro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114388268
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
CID 43270705
N-(1-cyclopropylethyl)-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62147833
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide (CID 43325303) is 2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NN.
What is the InChIKey of 2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is QXWCTZJZYXMJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-3-8(4-2)14-20(18,19)11-6-5-9(15(16)17)7-10(11)13-12/h5-8,13-14H,3-4,12H2,1-2H3.
What are the key properties of 2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide?
2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 43325303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).