N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide

C17H19ClN2O2S — CID 110361957

IUPACN-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cc(N2CCCC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O2S/c18-16-9-8-15(20-10-4-5-11-20)12-17(16)19-23(21,22)13-14-6-2-1-3-7-14/h1-3,6-9,12,19H,4-5,10-11,13H2
InChIKeyHTXGQXDYJRLOOX-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.88
Rot. Bonds5

About N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide

N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide (PubChem CID 110361957) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide
PubChem CID110361957
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cc(N2CCCC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O2S/c18-16-9-8-15(20-10-4-5-11-20)12-17(16)19-23(21,22)13-14-6-2-1-3-7-14/h1-3,6-9,12,19H,4-5,10-11,13H2
InChIKeyHTXGQXDYJRLOOX-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110361942
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512776
1-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylphenyl)methanesulfonamide
CID 110359724
1-(4-chlorophenyl)-N-(2,5-dichlorophenyl)methanesulfonamide
CID 18891286
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110361952
N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide
CID 110361959
N-(2-methoxy-5-piperidin-1-ylphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110359721
N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110362270
N-(2-chloro-5-piperidin-1-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110362322
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 106037003

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide (CID 110361957) is N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1cc(N2CCCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is HTXGQXDYJRLOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c18-16-9-8-15(20-10-4-5-11-20)12-17(16)19-23(21,22)13-14-6-2-1-3-7-14/h1-3,6-9,12,19H,4-5,10-11,13H2.
What are the key properties of N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide?
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 350.87 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 110361957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).