(2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone

C16H9Cl2NO3S2 — CID 59370934

IUPAC(2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone
SMILESO=C(c1ccc(S(=O)(=O)c2nccs2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H9Cl2NO3S2/c17-11-3-6-14(18)13(9-11)15(20)10-1-4-12(5-2-10)24(21,22)16-19-7-8-23-16/h1-9H
InChIKeyOREITTSGTREJRM-UHFFFAOYSA-N
MW398.29 g/mol
LogP4.51
Rot. Bonds4

About (2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone

(2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone (PubChem CID 59370934) has the molecular formula C16H9Cl2NO3S2 and a molecular weight of 398.29 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone
PubChem CID59370934
Molecular FormulaC16H9Cl2NO3S2
Molecular Weight398.29 g/mol
Exact Mass396.94
IUPAC Name(2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone
SMILESO=C(c1ccc(S(=O)(=O)c2nccs2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H9Cl2NO3S2/c17-11-3-6-14(18)13(9-11)15(20)10-1-4-12(5-2-10)24(21,22)16-19-7-8-23-16/h1-9H
InChIKeyOREITTSGTREJRM-UHFFFAOYSA-N
XLogP4.51
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone (CID 59370934) is (2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone is O=C(c1ccc(S(=O)(=O)c2nccs2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone?
The InChIKey is OREITTSGTREJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3S2/c17-11-3-6-14(18)13(9-11)15(20)10-1-4-12(5-2-10)24(21,22)16-19-7-8-23-16/h1-9H.
What are the key properties of (2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone?
(2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone has a molecular weight of 398.29 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]methanone is sourced from PubChem (CID 59370934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).