1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide

C20H20N2O3S — CID 67611226

IUPAC1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide
SMILESCn1c(C(=O)c2ccccc2)ccc1C(C)(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C20H20N2O3S/c1-20(26(21,24)25,16-11-7-4-8-12-16)18-14-13-17(22(18)2)19(23)15-9-5-3-6-10-15/h3-14H,1-2H3,(H2,21,24,25)
InChIKeyMCXGBBNMGKTFNY-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.81
Rot. Bonds5

About 1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide

1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide (PubChem CID 67611226) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide.

Molecular Properties

Compound Name1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide
PubChem CID67611226
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide
SMILESCn1c(C(=O)c2ccccc2)ccc1C(C)(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C20H20N2O3S/c1-20(26(21,24)25,16-11-7-4-8-12-16)18-14-13-17(22(18)2)19(23)15-9-5-3-6-10-15/h3-14H,1-2H3,(H2,21,24,25)
InChIKeyMCXGBBNMGKTFNY-UHFFFAOYSA-N
XLogP2.81
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-benzoyl-1-methylpyrrol-2-yl)-2-phenyl-3-sulfamoylpropan-2-yl] acetate
CID 67611362
1-[5-(4-chlorobenzoyl)-1-methylpyrrol-2-yl]-3-hydroxy-2-phenylpropane-2-sulfonamide
CID 67611612
[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]methanetricarboxylic acid
CID 141156033
3-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]-1-phenylpropane-1-sulfonamide
CID 67611803
2,2-dimethylpropane;diphenylmethanone
CID 159191976
lithium;1,1-diphenylethanol;diphenylmethanone;ethane;hydride
CID 159858398
2-[5-(4-methoxybenzoyl)-1-methylpyrrol-2-yl]-1-phenylethanesulfonamide
CID 67611137
1-phenyl-1-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)ethanesulfonamide
CID 140679096
3-amino-5-benzoyl-1-methylpyrrole-2-carboxylic acid
CID 163906009
2-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-2-hydroxy-2-phenylethanesulfonamide
CID 67611664
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide?
The IUPAC name of 1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide (CID 67611226) is 1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide.
What is the SMILES notation for 1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide?
The canonical SMILES for 1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide is Cn1c(C(=O)c2ccccc2)ccc1C(C)(c1ccccc1)S(N)(=O)=O.
What is the InChIKey of 1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide?
The InChIKey is MCXGBBNMGKTFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-20(26(21,24)25,16-11-7-4-8-12-16)18-14-13-17(22(18)2)19(23)15-9-5-3-6-10-15/h3-14H,1-2H3,(H2,21,24,25).
What are the key properties of 1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide?
1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzoyl-1-methylpyrrol-2-yl)-1-phenylethanesulfonamide is sourced from PubChem (CID 67611226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).