1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene

C20H17ClO2S — CID 25242109

IUPAC1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClO2S/c1-15-7-13-19(14-8-15)24(22,23)20(16-5-3-2-4-6-16)17-9-11-18(21)12-10-17/h2-14,20H,1H3
InChIKeyQTEQLBNAPAVPGP-UHFFFAOYSA-N
MW356.87 g/mol
LogP5.21
Rot. Bonds4

About 1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene

1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene (PubChem CID 25242109) has the molecular formula C20H17ClO2S and a molecular weight of 356.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
PubChem CID25242109
Molecular FormulaC20H17ClO2S
Molecular Weight356.87 g/mol
Exact Mass356.06
IUPAC Name1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C(c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClO2S/c1-15-7-13-19(14-8-15)24(22,23)20(16-5-3-2-4-6-16)17-9-11-18(21)12-10-17/h2-14,20H,1H3
InChIKeyQTEQLBNAPAVPGP-UHFFFAOYSA-N
XLogP5.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.87
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-2-methyl-1H-indole
CID 56954897
2-[(S)-(4-methylphenyl)sulfonyl-phenylmethyl]phenol
CID 177473349
1-[(R)-(4-chlorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
CID 98043289
2-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-1,3,5-trimethoxybenzene
CID 154721045
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
(4-methylphenyl)-phenylmethanesulfonic acid
CID 22237748
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene
CID 101481324
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
[1-[(4-chlorophenyl)-phenylmethyl]-1-methylazetidin-1-ium-3-yl] 4-methylbenzenesulfonate
CID 139914164
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene (CID 25242109) is 1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)C(c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene?
The InChIKey is QTEQLBNAPAVPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO2S/c1-15-7-13-19(14-8-15)24(22,23)20(16-5-3-2-4-6-16)17-9-11-18(21)12-10-17/h2-14,20H,1H3.
What are the key properties of 1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene?
1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene has a molecular weight of 356.87 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 25242109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).