1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

C19H11Cl2FN4O4S2 — CID 20799313

IUPAC1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESO=C(Nc1ccc(-n2cnc3cc(Cl)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C19H11Cl2FN4O4S2/c20-10-1-3-12-14(7-10)23-9-26(18(12)27)15-4-2-11(8-13(15)22)24-19(28)25-32(29,30)17-6-5-16(21)31-17/h1-9H,(H2,24,25,28)
InChIKeyNPMMJKPEBDEAOW-UHFFFAOYSA-N
MW513.36 g/mol
LogP4.40
Rot. Bonds4

About 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (PubChem CID 20799313) has the molecular formula C19H11Cl2FN4O4S2 and a molecular weight of 513.36 g/mol. Its IUPAC name is 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
PubChem CID20799313
Molecular FormulaC19H11Cl2FN4O4S2
Molecular Weight513.36 g/mol
Exact Mass511.96
IUPAC Name1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESO=C(Nc1ccc(-n2cnc3cc(Cl)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C19H11Cl2FN4O4S2/c20-10-1-3-12-14(7-10)23-9-26(18(12)27)15-4-2-11(8-13(15)22)24-19(28)25-32(29,30)17-6-5-16(21)31-17/h1-9H,(H2,24,25,28)
InChIKeyNPMMJKPEBDEAOW-UHFFFAOYSA-N
XLogP4.40
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.36
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-(7-cyclopentyl-4-oxoquinazolin-3-yl)-3-fluorophenyl]urea
CID 21027639
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-6-sulfamoylquinazolin-3-yl)phenyl]urea
CID 67966335
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-5-iodo-4-[7-(methylamino)-4-oxoquinazolin-3-yl]phenyl]urea
CID 67966461
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea
CID 20799830
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(4-oxoquinazolin-3-yl)-3-pyridinyl]urea
CID 20799933
1-[3-chloro-4-(6-methoxy-4-oxoquinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 20799150
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(1-oxo-7-sulfamoylisoquinolin-2-yl)phenyl]urea
CID 67966292
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(methylamino)-1-oxo-4-phenylisoquinolin-2-yl]phenyl]urea
CID 20799615
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]-3-pyridinyl]urea
CID 21027641
1-[4-(7-chloro-1-hydroxy-3-oxoisoquinolin-2-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 91062833
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]urea
CID 157270885
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)phenyl]urea
CID 10186251

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The IUPAC name of 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (CID 20799313) is 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is O=C(Nc1ccc(-n2cnc3cc(Cl)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The InChIKey is NPMMJKPEBDEAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN4O4S2/c20-10-1-3-12-14(7-10)23-9-26(18(12)27)15-4-2-11(8-13(15)22)24-19(28)25-32(29,30)17-6-5-16(21)31-17/h1-9H,(H2,24,25,28).
What are the key properties of 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea has a molecular weight of 513.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloro-4-oxoquinazolin-3-yl)-3-fluorophenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is sourced from PubChem (CID 20799313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).