[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone

C18H15NO3S — CID 22928710

IUPAC[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccn2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H15NO3S/c1-14-9-11-15(12-10-14)18(20)17-8-5-13-19(17)23(21,22)16-6-3-2-4-7-16/h2-13H,1H3
InChIKeyPQLNSGMHXYTKGC-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.26
Rot. Bonds4

About [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone

[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone (PubChem CID 22928710) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
PubChem CID22928710
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccn2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H15NO3S/c1-14-9-11-15(12-10-14)18(20)17-8-5-13-19(17)23(21,22)16-6-3-2-4-7-16/h2-13H,1H3
InChIKeyPQLNSGMHXYTKGC-UHFFFAOYSA-N
XLogP3.26
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)pyrrole-2-carboxylic acid
CID 83653929
ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 10851265
1,3-bis[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-phenylpropan-1-one
CID 101387780
2-[2-(4-methylbenzoyl)pyrrol-1-yl]propanoic acid
CID 69276476
1-(benzenesulfonyl)-2-methylsulfonylpyrrole
CID 121219466
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
[1-(benzenesulfonyl)-6-chloroindol-2-yl]-(4-methylphenyl)methanone
CID 23003432
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]sulfanylacetic acid
CID 13167607
[5-iodo-3-(4-methylphenyl)sulfonylimidazol-4-yl]-phenylmethanone
CID 102251745
[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 71083233
[1-(4-methylphenyl)sulfonyl-6-phenylindol-4-yl]-phenylmethanone
CID 11626591

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone (CID 22928710) is [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cccn2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone?
The InChIKey is PQLNSGMHXYTKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-14-9-11-15(12-10-14)18(20)17-8-5-13-19(17)23(21,22)16-6-3-2-4-7-16/h2-13H,1H3.
What are the key properties of [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone?
[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone has a molecular weight of 325.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 22928710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).