N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide

C11H14N2O4S — CID 89133553

IUPACN-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide
SMILESO=C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2)C(O)N1
InChIInChI=1S/C11H14N2O4S/c14-7-8-6-10(11(15)12-8)13-18(16,17)9-4-2-1-3-5-9/h1-5,7-8,10-13,15H,6H2/t8-,10+,11?/m0/s1
InChIKeyFBDSNOFJPFCXGQ-OZRKRLJNSA-N
MW270.31 g/mol
LogP-0.79
Rot. Bonds4

About N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide

N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide (PubChem CID 89133553) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide
PubChem CID89133553
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide
SMILESO=C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2)C(O)N1
InChIInChI=1S/C11H14N2O4S/c14-7-8-6-10(11(15)12-8)13-18(16,17)9-4-2-1-3-5-9/h1-5,7-8,10-13,15H,6H2/t8-,10+,11?/m0/s1
InChIKeyFBDSNOFJPFCXGQ-OZRKRLJNSA-N
XLogP-0.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyoxolan-3-yl)benzenesulfonamide
CID 141363362
N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
CID 61231401
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-(5-methyl-2-propan-2-ylcyclohexyl)benzenesulfonamide
CID 42960041
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 14391833
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
trans-(1R,2R)-2-(benzenesulfonyl)cyclopropane-1-carbaldehyde
CID 99999364
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784690
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]benzenesulfonamide
CID 43602911
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide (CID 89133553) is N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide is O=C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2)C(O)N1.
What is the InChIKey of N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is FBDSNOFJPFCXGQ-OZRKRLJNSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-7-8-6-10(11(15)12-8)13-18(16,17)9-4-2-1-3-5-9/h1-5,7-8,10-13,15H,6H2/t8-,10+,11?/m0/s1.
What are the key properties of N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide?
N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 270.31 g/mol, XLogP of -0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 89133553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).