3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one

C19H13ClN2O3S2 — CID 10287815

IUPAC3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H13ClN2O3S2/c20-13-5-7-14(8-6-13)27(24,25)11-18-21-17(10-26-18)15-9-12-3-1-2-4-16(12)22-19(15)23/h1-10H,11H2,(H,22,23)
InChIKeyULYHZZIABNHYBC-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.28
Rot. Bonds4

About 3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 10287815) has the molecular formula C19H13ClN2O3S2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID10287815
Molecular FormulaC19H13ClN2O3S2
Molecular Weight416.91 g/mol
Exact Mass416.01
IUPAC Name3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H13ClN2O3S2/c20-13-5-7-14(8-6-13)27(24,25)11-18-21-17(10-26-18)15-9-12-3-1-2-4-16(12)22-19(15)23/h1-10H,11H2,(H,22,23)
InChIKeyULYHZZIABNHYBC-UHFFFAOYSA-N
XLogP4.28
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 10287815) is 3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is ULYHZZIABNHYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S2/c20-13-5-7-14(8-6-13)27(24,25)11-18-21-17(10-26-18)15-9-12-3-1-2-4-16(12)22-19(15)23/h1-10H,11H2,(H,22,23).
What are the key properties of 3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 416.91 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10287815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).