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

C16H22N2O2S — CID 110716508

IUPACN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCn1c(C)ccc1C
InChIInChI=1S/C16H22N2O2S/c1-13-6-4-5-7-16(13)12-21(19,20)17-10-11-18-14(2)8-9-15(18)3/h4-9,17H,10-12H2,1-3H3
InChIKeyWNRNCTOGZKHSLT-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.53
Rot. Bonds6

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

N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110716508) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID110716508
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCCn1c(C)ccc1C
InChIInChI=1S/C16H22N2O2S/c1-13-6-4-5-7-16(13)12-21(19,20)17-10-11-18-14(2)8-9-15(18)3/h4-9,17H,10-12H2,1-3H3
InChIKeyWNRNCTOGZKHSLT-UHFFFAOYSA-N
XLogP2.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]methanesulfonamide
CID 110716513
1-(2-methylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanesulfonamide
CID 110642109
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 29344500
N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110710274
3-[2-[(2-methylphenyl)methylsulfonylamino]ethyl]benzoic acid
CID 166224462
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110294399
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 56787526
(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297
4-[3-[(2-methylphenyl)methylsulfonylamino]propyl]benzenesulfonamide
CID 110293809
N-[(1,2-dimethylindol-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782446
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
1-(2-methylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16892921

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 110716508) is N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCCn1c(C)ccc1C.
What is the InChIKey of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is WNRNCTOGZKHSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-13-6-4-5-7-16(13)12-21(19,20)17-10-11-18-14(2)8-9-15(18)3/h4-9,17H,10-12H2,1-3H3.
What are the key properties of N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110716508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).