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

C12H16N2O3S — CID 106913023

IUPACN-(3-formylphenyl)piperidine-1-sulfonamide
SMILESO=Cc1cccc(NS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C12H16N2O3S/c15-10-11-5-4-6-12(9-11)13-18(16,17)14-7-2-1-3-8-14/h4-6,9-10,13H,1-3,7-8H2
InChIKeyUUQALLMKNIRLES-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.64
Rot. Bonds4

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

N-(3-formylphenyl)piperidine-1-sulfonamide (PubChem CID 106913023) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(3-formylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-formylphenyl)piperidine-1-sulfonamide
PubChem CID106913023
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(3-formylphenyl)piperidine-1-sulfonamide
SMILESO=Cc1cccc(NS(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C12H16N2O3S/c15-10-11-5-4-6-12(9-11)13-18(16,17)14-7-2-1-3-8-14/h4-6,9-10,13H,1-3,7-8H2
InChIKeyUUQALLMKNIRLES-UHFFFAOYSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.64
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)pyrrolidine-1-sulfonamide
CID 106912985
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-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369656
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide
CID 18771469
4-tert-butyl-N-(3-formylphenyl)benzenesulfonamide
CID 1249997
3-formyl-N-phenylbenzenesulfonamide
CID 22601475
2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid
CID 61398444
N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 115663199
5-(azepan-1-ylsulfonyl)naphthalene-2-carbaldehyde
CID 145480328

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-formylphenyl)piperidine-1-sulfonamide (CID 106913023) is N-(3-formylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-formylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-formylphenyl)piperidine-1-sulfonamide is O=Cc1cccc(NS(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-formylphenyl)piperidine-1-sulfonamide?
The InChIKey is UUQALLMKNIRLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-10-11-5-4-6-12(9-11)13-18(16,17)14-7-2-1-3-8-14/h4-6,9-10,13H,1-3,7-8H2.
What are the key properties of N-(3-formylphenyl)piperidine-1-sulfonamide?
N-(3-formylphenyl)piperidine-1-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106913023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).