N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide

C10H16N4O4S — CID 43142157

IUPACN-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H16N4O4S/c1-2-3-6-12-19(17,18)8-4-5-9(13-11)10(7-8)14(15)16/h4-5,7,12-13H,2-3,6,11H2,1H3
InChIKeyJRGWMJVGYCHXSJ-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.96
Rot. Bonds7

About N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide

N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide (PubChem CID 43142157) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
PubChem CID43142157
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC NameN-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H16N4O4S/c1-2-3-6-12-19(17,18)8-4-5-9(13-11)10(7-8)14(15)16/h4-5,7,12-13H,2-3,6,11H2,1H3
InChIKeyJRGWMJVGYCHXSJ-UHFFFAOYSA-N
XLogP0.96
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-butyl-4-methyl-3-nitrobenzenesulfonamide
CID 2836737
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106330104
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701
4-(methylamino)-N-(4-methylpentyl)-3-nitrobenzenesulfonamide
CID 63002612
4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide
CID 63959621
N-butyl-3-nitro-4-piperidin-1-ylbenzenesulfonamide
CID 21205326
4-(methylamino)-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 63961223
N-ethyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62150216
N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62640031
N-(2-methoxyethyl)-3-nitro-4-(propylamino)benzenesulfonamide
CID 62148284

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide?
The IUPAC name of N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide (CID 43142157) is N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide?
The canonical SMILES for N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide?
The InChIKey is JRGWMJVGYCHXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-2-3-6-12-19(17,18)8-4-5-9(13-11)10(7-8)14(15)16/h4-5,7,12-13H,2-3,6,11H2,1H3.
What are the key properties of N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide?
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43142157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).