1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide

C11H15ClN2O2S — CID 63666007

IUPAC1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H15ClN2O2S/c12-9-17(15,16)13-10-3-5-11(6-4-10)14-7-1-2-8-14/h3-6,13H,1-2,7-9H2
InChIKeyAWPUIRHTGBTAAG-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.22
Rot. Bonds4

About 1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide

1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide (PubChem CID 63666007) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
PubChem CID63666007
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H15ClN2O2S/c12-9-17(15,16)13-10-3-5-11(6-4-10)14-7-1-2-8-14/h3-6,13H,1-2,7-9H2
InChIKeyAWPUIRHTGBTAAG-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
CID 63665951
2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
CID 51127345
1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512776
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide
CID 106062321
1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512787
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3703667
N-(4-piperidin-1-ylphenyl)morpholine-4-sulfonamide
CID 110706046
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide (CID 63666007) is 1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide is O=S(=O)(CCl)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide?
The InChIKey is AWPUIRHTGBTAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-9-17(15,16)13-10-3-5-11(6-4-10)14-7-1-2-8-14/h3-6,13H,1-2,7-9H2.
What are the key properties of 1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide?
1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 63666007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).