1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol

C11H15N3O5S — CID 62943650

IUPAC1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol
SMILESCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H15N3O5S/c1-12-10-3-2-8(14(16)17)6-11(10)20(18,19)13-5-4-9(15)7-13/h2-3,6,9,12,15H,4-5,7H2,1H3
InChIKeyCCWZWLSZJIJGMR-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.39
Rot. Bonds4

About 1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol

1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol (PubChem CID 62943650) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol
PubChem CID62943650
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol
SMILESCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C11H15N3O5S/c1-12-10-3-2-8(14(16)17)6-11(10)20(18,19)13-5-4-9(15)7-13/h2-3,6,9,12,15H,4-5,7H2,1H3
InChIKeyCCWZWLSZJIJGMR-UHFFFAOYSA-N
XLogP0.39
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 62916775
N-methyl-2-(2-methylpiperidin-1-yl)sulfonyl-4-nitroaniline
CID 62148963
(3S)-1-(2-methoxy-4-nitrophenyl)sulfonylpiperidin-3-ol
CID 107225013
1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680583
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979756
(3R)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 66291461
N-methyl-2-(2-methylmorpholin-4-yl)sulfonyl-5-nitroaniline
CID 62150394
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62150039
(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
CID 93033901
N-ethyl-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 18074536
N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)cycloheptanamine
CID 18074906

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol (CID 62943650) is 1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol is CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol?
The InChIKey is CCWZWLSZJIJGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-12-10-3-2-8(14(16)17)6-11(10)20(18,19)13-5-4-9(15)7-13/h2-3,6,9,12,15H,4-5,7H2,1H3.
What are the key properties of 1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol?
1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol has a molecular weight of 301.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-5-nitrophenyl]sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62943650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).