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

C11H15ClN2O2S — CID 110361942

IUPACN-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(N2CCCC2)ccc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-17(15,16)13-11-8-9(4-5-10(11)12)14-6-2-3-7-14/h4-5,8,13H,2-3,6-7H2,1H3
InChIKeyLUPVHKWSNADNBO-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.31
Rot. Bonds3

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

N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide (PubChem CID 110361942) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide
PubChem CID110361942
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(N2CCCC2)ccc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-17(15,16)13-11-8-9(4-5-10(11)12)14-6-2-3-7-14/h4-5,8,13H,2-3,6-7H2,1H3
InChIKeyLUPVHKWSNADNBO-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide
CID 110361957
N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide
CID 110361959
N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400433
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400494
N-(2-chloro-5-piperidin-1-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110362322
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110361952
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
CID 23660792
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
N-[5-(azepan-1-yl)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13062385
N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 110361913

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide (CID 110361942) is N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(N2CCCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide?
The InChIKey is LUPVHKWSNADNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-17(15,16)13-11-8-9(4-5-10(11)12)14-6-2-3-7-14/h4-5,8,13H,2-3,6-7H2,1H3.
What are the key properties of N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide?
N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 2.31, 3 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)methanesulfonamide is sourced from PubChem (CID 110361942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).