1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol

C11H16N4O5S — CID 103356606

IUPAC1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)C1
InChIInChI=1S/C11H16N4O5S/c1-11(16)4-5-14(7-11)21(19,20)10-6-8(15(17)18)2-3-9(10)13-12/h2-3,6,13,16H,4-5,7,12H2,1H3
InChIKeyUBNCLCGJYZJGRA-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.03
Rot. Bonds4

About 1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol

1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 103356606) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol
PubChem CID103356606
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)C1
InChIInChI=1S/C11H16N4O5S/c1-11(16)4-5-14(7-11)21(19,20)10-6-8(15(17)18)2-3-9(10)13-12/h2-3,6,13,16H,4-5,7,12H2,1H3
InChIKeyUBNCLCGJYZJGRA-UHFFFAOYSA-N
XLogP0.03
TPSA138.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.03
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-ethyl-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18074536
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103357550
1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol
CID 62943650
2-hydrazinyl-N-morpholin-4-yl-5-nitrobenzenesulfonamide
CID 83018413
2-(2-methoxy-5-nitrophenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 120718692
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
[2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine
CID 43142204
methyl 4-(2-chloro-5-nitrophenyl)sulfonylpiperazine-1-carboxylate
CID 59548944
N-(4-methylphenyl)-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18095005
[2-(2-methylmorpholin-4-yl)sulfonyl-5-nitrophenyl]hydrazine
CID 43142206
1-(2,4-dibromophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871444

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol (CID 103356606) is 1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol is CC1(O)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN)C1.
What is the InChIKey of 1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is UBNCLCGJYZJGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-11(16)4-5-14(7-11)21(19,20)10-6-8(15(17)18)2-3-9(10)13-12/h2-3,6,13,16H,4-5,7,12H2,1H3.
What are the key properties of 1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol?
1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 316.34 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinyl-5-nitrophenyl)sulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103356606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).