1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene

C19H16O4S2 — CID 176904491

IUPAC1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16O4S2/c1-15-11-13-17(14-12-15)25(22,23)19-10-6-5-9-18(19)24(20,21)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyGCROGEPKDSEXSH-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.66
Rot. Bonds4

About 1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene

1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene (PubChem CID 176904491) has the molecular formula C19H16O4S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
PubChem CID176904491
Molecular FormulaC19H16O4S2
Molecular Weight372.47 g/mol
Exact Mass372.05
IUPAC Name1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16O4S2/c1-15-11-13-17(14-12-15)25(22,23)19-10-6-5-9-18(19)24(20,21)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyGCROGEPKDSEXSH-UHFFFAOYSA-N
XLogP3.66
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)sulfonylbenzenesulfonate
CID 22251002
1,2-bis(benzenesulfonyl)benzene
CID 19980733
2-(4-methylphenyl)sulfonylphenol
CID 10879464
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
2-(4-methylphenyl)sulfonylbenzoic acid
CID 71025633
1,2,3-tris-(4-methylphenyl)sulfonylbenzene
CID 18699518
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-[2-(4-methylphenyl)sulfonylphenyl]-1-phenylhydrazine
CID 175238402
1-[(1R)-1-bromoethyl]-2-(4-methylphenyl)sulfonylbenzene
CID 25260253

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of 1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene (CID 176904491) is 1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene is Cc1ccc(S(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene?
The InChIKey is GCROGEPKDSEXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S2/c1-15-11-13-17(14-12-15)25(22,23)19-10-6-5-9-18(19)24(20,21)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene?
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene has a molecular weight of 372.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 176904491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).