1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide

C15H19ClN2O2S — CID 110716513

IUPAC1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
SMILESCc1ccc(C)n1CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2S/c1-12-3-4-13(2)18(12)10-9-17-21(19,20)11-14-5-7-15(16)8-6-14/h3-8,17H,9-11H2,1-2H3
InChIKeyCJCQJWPRFJVAEH-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.88
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide (PubChem CID 110716513) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
PubChem CID110716513
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
SMILESCc1ccc(C)n1CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2S/c1-12-3-4-13(2)18(12)10-9-17-21(19,20)11-14-5-7-15(16)8-6-14/h3-8,17H,9-11H2,1-2H3
InChIKeyCJCQJWPRFJVAEH-UHFFFAOYSA-N
XLogP2.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110415635
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110716508
1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110789278
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide
CID 110719194
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110714894
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide
CID 110396364
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide (CID 110716513) is 1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide is Cc1ccc(C)n1CCNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide?
The InChIKey is CJCQJWPRFJVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-12-3-4-13(2)18(12)10-9-17-21(19,20)11-14-5-7-15(16)8-6-14/h3-8,17H,9-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide has a molecular weight of 326.85 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110716513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).