3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole

C22H17NO2S — CID 3615010

IUPAC3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole
SMILESO=S(=O)(c1ccccc1)c1c(-c2ccccc2)c[nH]c1-c1ccccc1
InChIInChI=1S/C22H17NO2S/c24-26(25,19-14-8-3-9-15-19)22-20(17-10-4-1-5-11-17)16-23-21(22)18-12-6-2-7-13-18/h1-16,23H
InChIKeyMJHMGJTXKRADKY-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.18
Rot. Bonds4

About 3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole

3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole (PubChem CID 3615010) has the molecular formula C22H17NO2S and a molecular weight of 359.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole
PubChem CID3615010
Molecular FormulaC22H17NO2S
Molecular Weight359.45 g/mol
Exact Mass359.10
IUPAC Name3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole
SMILESO=S(=O)(c1ccccc1)c1c(-c2ccccc2)c[nH]c1-c1ccccc1
InChIInChI=1S/C22H17NO2S/c24-26(25,19-14-8-3-9-15-19)22-20(17-10-4-1-5-11-17)16-23-21(22)18-12-6-2-7-13-18/h1-16,23H
InChIKeyMJHMGJTXKRADKY-UHFFFAOYSA-N
XLogP5.18
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4-triphenyl-1H-pyrrole;hydrochloride
CID 172844821
2-(benzenesulfonyl)-3-phenylbenzenesulfinate
CID 56987190
2-(4-methylsulfonylphenyl)-3-phenyl-1H-pyrrole
CID 57260118
1,2-bis(benzenesulfonyl)benzene
CID 19980733
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
3,5-bis(benzenesulfonyl)-2,6-dimethyl-1H-pyridin-4-one
CID 555917
2-[2,5-bis(benzenesulfonyl)-4-phenylphenyl]pyridine
CID 175791079
1-(2,4-diphenyl-1H-pyrrol-3-yl)-3-methylbutan-1-one
CID 19098662
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzenesulfonylbenzene;oxalic acid
CID 67897674

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole?
The IUPAC name of 3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole (CID 3615010) is 3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole.
What is the SMILES notation for 3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole?
The canonical SMILES for 3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole is O=S(=O)(c1ccccc1)c1c(-c2ccccc2)c[nH]c1-c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole?
The InChIKey is MJHMGJTXKRADKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2S/c24-26(25,19-14-8-3-9-15-19)22-20(17-10-4-1-5-11-17)16-23-21(22)18-12-6-2-7-13-18/h1-16,23H.
What are the key properties of 3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole?
3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole has a molecular weight of 359.45 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2,4-diphenyl-1H-pyrrole is sourced from PubChem (CID 3615010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).