6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline

C21H14Cl2FN3O2S — CID 167677065

IUPAC6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline
SMILESCc1nc(CS(=O)(=O)c2cccc(Cl)c2Cl)ccc1-c1ccc2nc(F)ncc2c1
InChIInChI=1S/C21H14Cl2FN3O2S/c1-12-16(13-5-8-18-14(9-13)10-25-21(24)27-18)7-6-15(26-12)11-30(28,29)19-4-2-3-17(22)20(19)23/h2-10H,11H2,1H3
InChIKeyJYFGCEZLZMXURE-UHFFFAOYSA-N
MW462.33 g/mol
LogP5.42
Rot. Bonds4

About 6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline

6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline (PubChem CID 167677065) has the molecular formula C21H14Cl2FN3O2S and a molecular weight of 462.33 g/mol. Its IUPAC name is 6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline.

Molecular Properties

Compound Name6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline
PubChem CID167677065
Molecular FormulaC21H14Cl2FN3O2S
Molecular Weight462.33 g/mol
Exact Mass461.02
IUPAC Name6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline
SMILESCc1nc(CS(=O)(=O)c2cccc(Cl)c2Cl)ccc1-c1ccc2nc(F)ncc2c1
InChIInChI=1S/C21H14Cl2FN3O2S/c1-12-16(13-5-8-18-14(9-13)10-25-21(24)27-18)7-6-15(26-12)11-30(28,29)19-4-2-3-17(22)20(19)23/h2-10H,11H2,1H3
InChIKeyJYFGCEZLZMXURE-UHFFFAOYSA-N
XLogP5.42
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.33
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methylpyridine
CID 159127101
(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 159121063
N-(2-chlorophenyl)sulfanyl-3-fluoro-5-(2-fluoroquinazolin-6-yl)-6-methoxypyridin-2-amine
CID 142590386
N-(2-chlorophenyl)sulfanyl-5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine
CID 142590390
N-[3-(2-aminoquinazolin-6-yl)-2,6-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833143
4-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethylquinazolin-2-yl]cyclohexane-1,4-diamine
CID 147554341
6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methoxy-3-pyridinyl]-8-ethyl-N-(4-ethylcyclohexyl)quinazolin-2-amine
CID 167623361
5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methylpyridin-2-amine
CID 138707045
3-chloro-4-[(6-methyl-2-pyridinyl)methylsulfonyl]aniline
CID 81181655
2-chloro-N-[5-[2-[[4-(dimethylamino)cyclohexyl]amino]-8-ethylquinazolin-6-yl]-6-methyl-2-pyridinyl]-3-fluorobenzenesulfonamide
CID 138676653
2-methyl-6-(2-methyl-3-pyridinyl)quinoline
CID 90167611
3-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 175850289

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline?
The IUPAC name of 6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline (CID 167677065) is 6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline.
What is the SMILES notation for 6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline?
The canonical SMILES for 6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline is Cc1nc(CS(=O)(=O)c2cccc(Cl)c2Cl)ccc1-c1ccc2nc(F)ncc2c1.
What is the InChIKey of 6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline?
The InChIKey is JYFGCEZLZMXURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2FN3O2S/c1-12-16(13-5-8-18-14(9-13)10-25-21(24)27-18)7-6-15(26-12)11-30(28,29)19-4-2-3-17(22)20(19)23/h2-10H,11H2,1H3.
What are the key properties of 6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline?
6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline has a molecular weight of 462.33 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-2-fluoroquinazoline is sourced from PubChem (CID 167677065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).