3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide

C10H16N4O5S — CID 82854516

IUPAC3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C10H16N4O5S/c1-7(6-19-2)13-20(17,18)8-3-4-10(14(15)16)9(5-8)12-11/h3-5,7,12-13H,6,11H2,1-2H3
InChIKeyLSIRRFQQPNFUSD-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.19
Rot. Bonds7

About 3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide

3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide (PubChem CID 82854516) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
PubChem CID82854516
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Name3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C10H16N4O5S/c1-7(6-19-2)13-20(17,18)8-3-4-10(14(15)16)9(5-8)12-11/h3-5,7,12-13H,6,11H2,1-2H3
InChIKeyLSIRRFQQPNFUSD-UHFFFAOYSA-N
XLogP0.19
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.19
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-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847825
4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64605293
N-[(2S)-1-methoxypropan-2-yl]-3-nitro-4-phenylsulfanylbenzenesulfonamide
CID 9279167
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
4-(4-chlorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide
CID 9213087
N-[(2R)-1-methoxypropan-2-yl]-3-nitro-4-piperidin-1-ylbenzenesulfonamide
CID 9186041
4-[(4-methoxyphenyl)methylamino]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide
CID 9282068
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-4-nitrobenzenesulfonamide
CID 82847437
N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847704
3-chloro-N-[(2R)-1-methoxypropan-2-yl]-4-methyl-5-nitrobenzenesulfonamide
CID 8777981
4-[(2,4-dichlorophenyl)methylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide
CID 41100734
N-(1-methoxypropan-2-yl)-2-(methylamino)-4-nitrobenzenesulfonamide
CID 62163370

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of 3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide (CID 82854516) is 3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide is COCC(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of 3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide?
The InChIKey is LSIRRFQQPNFUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-7(6-19-2)13-20(17,18)8-3-4-10(14(15)16)9(5-8)12-11/h3-5,7,12-13H,6,11H2,1-2H3.
What are the key properties of 3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide?
3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 82854516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).