N-(4-formylphenyl)cyclopentanesulfonamide

C12H15NO3S — CID 106912880

IUPACN-(4-formylphenyl)cyclopentanesulfonamide
SMILESO=Cc1ccc(NS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C12H15NO3S/c14-9-10-5-7-11(8-6-10)13-17(15,16)12-3-1-2-4-12/h5-9,12-13H,1-4H2
InChIKeyYDAJIPXYAPZSLS-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.18
Rot. Bonds4

About N-(4-formylphenyl)cyclopentanesulfonamide

N-(4-formylphenyl)cyclopentanesulfonamide (PubChem CID 106912880) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(4-formylphenyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(4-formylphenyl)cyclopentanesulfonamide
PubChem CID106912880
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC NameN-(4-formylphenyl)cyclopentanesulfonamide
SMILESO=Cc1ccc(NS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C12H15NO3S/c14-9-10-5-7-11(8-6-10)13-17(15,16)12-3-1-2-4-12/h5-9,12-13H,1-4H2
InChIKeyYDAJIPXYAPZSLS-UHFFFAOYSA-N
XLogP2.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.18
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-[4-(methylamino)phenyl]cyclohexanesulfonamide
CID 61064598
N-[4-(1-aminoethyl)phenyl]cyclopentanesulfonamide
CID 105361013
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide
CID 106911163
3-[4-(cyclopentylsulfonylamino)phenyl]propanoic acid
CID 105360943
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclohexanesulfonamide
CID 61058963
N-(4-piperazin-1-ylphenyl)cyclopentanesulfonamide
CID 105360645
N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
CID 115606497
2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 105361608
N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
CID 91956301
2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride
CID 105361036
1-(dimethylsulfamoylamino)-4-formylbenzene
CID 58614334

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)cyclopentanesulfonamide?
The IUPAC name of N-(4-formylphenyl)cyclopentanesulfonamide (CID 106912880) is N-(4-formylphenyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(4-formylphenyl)cyclopentanesulfonamide?
The canonical SMILES for N-(4-formylphenyl)cyclopentanesulfonamide is O=Cc1ccc(NS(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-(4-formylphenyl)cyclopentanesulfonamide?
The InChIKey is YDAJIPXYAPZSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-9-10-5-7-11(8-6-10)13-17(15,16)12-3-1-2-4-12/h5-9,12-13H,1-4H2.
What are the key properties of N-(4-formylphenyl)cyclopentanesulfonamide?
N-(4-formylphenyl)cyclopentanesulfonamide has a molecular weight of 253.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)cyclopentanesulfonamide is sourced from PubChem (CID 106912880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).