(3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine

C10H14N4O4S — CID 43325262

IUPAC(3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine
SMILESNNc1ccc(S(=O)(=O)N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N4O4S/c11-12-8-3-4-10(9(7-8)14(15)16)19(17,18)13-5-1-2-6-13/h3-4,7,12H,1-2,5-6,11H2
InChIKeyFYUISQFFZGUZCL-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.66
Rot. Bonds4

About (3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine

(3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine (PubChem CID 43325262) has the molecular formula C10H14N4O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is (3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine.

Molecular Properties

Compound Name(3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine
PubChem CID43325262
Molecular FormulaC10H14N4O4S
Molecular Weight286.31 g/mol
Exact Mass286.07
IUPAC Name(3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine
SMILESNNc1ccc(S(=O)(=O)N2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N4O4S/c11-12-8-3-4-10(9(7-8)14(15)16)19(17,18)13-5-1-2-6-13/h3-4,7,12H,1-2,5-6,11H2
InChIKeyFYUISQFFZGUZCL-UHFFFAOYSA-N
XLogP0.66
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
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

(4-morpholin-4-ylsulfonyl-3-nitrophenyl)hydrazine
CID 43325275
[1-(4-hydrazinyl-2-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409810
1-(4-chloro-2-nitrophenyl)sulfonylpiperidine
CID 47157093
1-(4-methyl-2-nitrophenyl)sulfonylazepane
CID 973417
[3-(3-methylpiperidin-1-yl)sulfonyl-4-nitrophenyl]hydrazine
CID 60988900
(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 16775038
(4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 19351291
4-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26978988
2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide
CID 43545770
4-(4-ethylpiperazin-1-yl)sulfonyl-3-nitroaniline
CID 62149272
(5-hydrazinyl-2-nitrophenyl)-pyrrolidin-1-ylmethanone
CID 62236403
4-(4-methoxy-2-nitrophenyl)sulfonyl-1,4-thiazepane
CID 71941403

Frequently Asked Questions

What is the IUPAC name of (3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine?
The IUPAC name of (3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine (CID 43325262) is (3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine.
What is the SMILES notation for (3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine?
The canonical SMILES for (3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine is NNc1ccc(S(=O)(=O)N2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of (3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine?
The InChIKey is FYUISQFFZGUZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S/c11-12-8-3-4-10(9(7-8)14(15)16)19(17,18)13-5-1-2-6-13/h3-4,7,12H,1-2,5-6,11H2.
What are the key properties of (3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine?
(3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine has a molecular weight of 286.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazine is sourced from PubChem (CID 43325262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).