N-(3-formylphenyl)pyrrolidine-1-sulfonamide

C11H14N2O3S — CID 106912985

IUPACN-(3-formylphenyl)pyrrolidine-1-sulfonamide
SMILESO=Cc1cccc(NS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C11H14N2O3S/c14-9-10-4-3-5-11(8-10)12-17(15,16)13-6-1-2-7-13/h3-5,8-9,12H,1-2,6-7H2
InChIKeyWILBGDHHCOLZFR-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.25
Rot. Bonds4

About N-(3-formylphenyl)pyrrolidine-1-sulfonamide

N-(3-formylphenyl)pyrrolidine-1-sulfonamide (PubChem CID 106912985) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(3-formylphenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-formylphenyl)pyrrolidine-1-sulfonamide
PubChem CID106912985
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(3-formylphenyl)pyrrolidine-1-sulfonamide
SMILESO=Cc1cccc(NS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C11H14N2O3S/c14-9-10-4-3-5-11(8-10)12-17(15,16)13-6-1-2-7-13/h3-5,8-9,12H,1-2,6-7H2
InChIKeyWILBGDHHCOLZFR-UHFFFAOYSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-formylphenyl)piperidine-1-sulfonamide
CID 106913023
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606208
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369656
N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide
CID 18771469
4-tert-butyl-N-(3-formylphenyl)benzenesulfonamide
CID 1249997
3-formyl-N-phenylbenzenesulfonamide
CID 22601475
N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 115663199
N-(3-methylphenyl)morpholine-4-sulfonamide
CID 110706005
N-(3-formylphenyl)butane-1-sulfonamide
CID 87474452

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-formylphenyl)pyrrolidine-1-sulfonamide (CID 106912985) is N-(3-formylphenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-formylphenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-formylphenyl)pyrrolidine-1-sulfonamide is O=Cc1cccc(NS(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-formylphenyl)pyrrolidine-1-sulfonamide?
The InChIKey is WILBGDHHCOLZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-9-10-4-3-5-11(8-10)12-17(15,16)13-6-1-2-7-13/h3-5,8-9,12H,1-2,6-7H2.
What are the key properties of N-(3-formylphenyl)pyrrolidine-1-sulfonamide?
N-(3-formylphenyl)pyrrolidine-1-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 106912985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).