N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide

C18H16N2O3S — CID 60605662

IUPACN-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C18H16N2O3S/c1-24(22,23)17-9-7-15(8-10-17)19-18(21)14-5-4-6-16(13-14)20-11-2-3-12-20/h2-13H,1H3,(H,19,21)
InChIKeyFJULCQRKBGFJSM-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.13
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide

N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide (PubChem CID 60605662) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
PubChem CID60605662
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C18H16N2O3S/c1-24(22,23)17-9-7-15(8-10-17)19-18(21)14-5-4-6-16(13-14)20-11-2-3-12-20/h2-13H,1H3,(H,19,21)
InChIKeyFJULCQRKBGFJSM-UHFFFAOYSA-N
XLogP3.13
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
CID 40795878
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
CID 34160976
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide
CID 26702412
N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
CID 9326856
1-(3-methylsulfonylphenyl)pyrrole
CID 67689461
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
CID 27826709
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide (CID 60605662) is N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide is CS(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is FJULCQRKBGFJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-24(22,23)17-9-7-15(8-10-17)19-18(21)14-5-4-6-16(13-14)20-11-2-3-12-20/h2-13H,1H3,(H,19,21).
What are the key properties of N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide?
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide has a molecular weight of 340.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 60605662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).