potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide

C20H14ClFKN5O5S2 — CID 23718927

IUPACpotassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide
SMILESCNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)[N-]S(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F.[K+]
InChIInChI=1S/C20H15ClFN5O5S2.K/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17;/h2-9H,1H3,(H4,23,24,25,26,28,29,30);/q;+1/p-1
InChIKeyPPADHTVWIWCEDE-UHFFFAOYSA-M
MW562.05 g/mol
LogP0.87
Rot. Bonds5

About potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide

potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide (PubChem CID 23718927) has the molecular formula C20H14ClFKN5O5S2 and a molecular weight of 562.05 g/mol. Its IUPAC name is potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide.

Molecular Properties

Compound Namepotassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide
PubChem CID23718927
Molecular FormulaC20H14ClFKN5O5S2
Molecular Weight562.05 g/mol
Exact Mass560.97
IUPAC Namepotassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide
SMILESCNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)[N-]S(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F.[K+]
InChIInChI=1S/C20H15ClFN5O5S2.K/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17;/h2-9H,1H3,(H4,23,24,25,26,28,29,30);/q;+1/p-1
InChIKeyPPADHTVWIWCEDE-UHFFFAOYSA-M
XLogP0.87
TPSA144.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.05
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide?
The IUPAC name of potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide (CID 23718927) is potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide.
What is the SMILES notation for potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide?
The canonical SMILES for potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide is CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)[N-]S(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F.[K+].
What is the InChIKey of potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide?
The InChIKey is PPADHTVWIWCEDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15ClFN5O5S2.K/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17;/h2-9H,1H3,(H4,23,24,25,26,28,29,30);/q;+1/p-1.
What are the key properties of potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide?
potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide has a molecular weight of 562.05 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (5-chlorothiophen-2-yl)sulfonyl-[[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]carbamoyl]azanide is sourced from PubChem (CID 23718927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).