4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide

C11H18N4O4S2 — CID 63959621

IUPAC4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H18N4O4S2/c1-8(7-20-2)6-13-21(18,19)9-3-4-10(14-12)11(5-9)15(16)17/h3-5,8,13-14H,6-7,12H2,1-2H3
InChIKeyZUKOMYXEWKPJTH-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.16
Rot. Bonds8

About 4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide

4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide (PubChem CID 63959621) has the molecular formula C11H18N4O4S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide
PubChem CID63959621
Molecular FormulaC11H18N4O4S2
Molecular Weight334.42 g/mol
Exact Mass334.08
IUPAC Name4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide
SMILESCSCC(C)CNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H18N4O4S2/c1-8(7-20-2)6-13-21(18,19)9-3-4-10(14-12)11(5-9)15(16)17/h3-5,8,13-14H,6-7,12H2,1-2H3
InChIKeyZUKOMYXEWKPJTH-UHFFFAOYSA-N
XLogP1.16
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847704
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701
4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64605293
4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106330104
4-(methylamino)-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 63961223
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034551
4-chloro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034448
3-(aminomethyl)-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064905
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide
CID 43296192

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide (CID 63959621) is 4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide is CSCC(C)CNS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide?
The InChIKey is ZUKOMYXEWKPJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S2/c1-8(7-20-2)6-13-21(18,19)9-3-4-10(14-12)11(5-9)15(16)17/h3-5,8,13-14H,6-7,12H2,1-2H3.
What are the key properties of 4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide?
4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 63959621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).