3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole

C16H11Cl2NO4S2 — CID 11200858

IUPAC3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole
SMILESO=S(=O)(c1ccccc1)c1c[nH]cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO4S2/c17-13-7-6-12(8-14(13)18)25(22,23)16-10-19-9-15(16)24(20,21)11-4-2-1-3-5-11/h1-10,19H
InChIKeyNAFNEBTUSWYWEA-UHFFFAOYSA-N
MW416.31 g/mol
LogP3.99
Rot. Bonds4

About 3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole

3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole (PubChem CID 11200858) has the molecular formula C16H11Cl2NO4S2 and a molecular weight of 416.31 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole
PubChem CID11200858
Molecular FormulaC16H11Cl2NO4S2
Molecular Weight416.31 g/mol
Exact Mass414.95
IUPAC Name3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole
SMILESO=S(=O)(c1ccccc1)c1c[nH]cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2NO4S2/c17-13-7-6-12(8-14(13)18)25(22,23)16-10-19-9-15(16)24(20,21)11-4-2-1-3-5-11/h1-10,19H
InChIKeyNAFNEBTUSWYWEA-UHFFFAOYSA-N
XLogP3.99
TPSA84.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(benzenesulfonyl)-5-chloro-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole?
The IUPAC name of 3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole (CID 11200858) is 3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole.
What is the SMILES notation for 3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole?
The canonical SMILES for 3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole is O=S(=O)(c1ccccc1)c1c[nH]cc1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole?
The InChIKey is NAFNEBTUSWYWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO4S2/c17-13-7-6-12(8-14(13)18)25(22,23)16-10-19-9-15(16)24(20,21)11-4-2-1-3-5-11/h1-10,19H.
What are the key properties of 3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole?
3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole has a molecular weight of 416.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole is sourced from PubChem (CID 11200858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).