N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide

C25H20ClF3N4O3S — CID 156833144

IUPACN-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4ccc(F)c(Cl)c4)c3F)ccc2n1
InChIInChI=1S/C25H20ClF3N4O3S/c1-25(2,3)23(34)32-24-30-12-14-10-13(4-8-19(14)31-24)21-18(28)7-9-20(22(21)29)33-37(35,36)15-5-6-17(27)16(26)11-15/h4-12,33H,1-3H3,(H,30,31,32,34)
InChIKeyCQDDHXKNAWYHCD-UHFFFAOYSA-N
MW548.97 g/mol
LogP6.15
Rot. Bonds5

About N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide

N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide (PubChem CID 156833144) has the molecular formula C25H20ClF3N4O3S and a molecular weight of 548.97 g/mol. Its IUPAC name is N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
PubChem CID156833144
Molecular FormulaC25H20ClF3N4O3S
Molecular Weight548.97 g/mol
Exact Mass548.09
IUPAC NameN-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4ccc(F)c(Cl)c4)c3F)ccc2n1
InChIInChI=1S/C25H20ClF3N4O3S/c1-25(2,3)23(34)32-24-30-12-14-10-13(4-8-19(14)31-24)21-18(28)7-9-20(22(21)29)33-37(35,36)15-5-6-17(27)16(26)11-15/h4-12,33H,1-3H3,(H,30,31,32,34)
InChIKeyCQDDHXKNAWYHCD-UHFFFAOYSA-N
XLogP6.15
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.97
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156832942
N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833318
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
CID 156833076
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide
CID 156833311
N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833152
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833222
5-chloro-N-[2,4-difluoro-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 156832891
N-[6-(3-amino-2,6-difluorophenyl)quinazolin-2-yl]-2,2-dimethylpropanamide;3-fluoro-5-(trifluoromethyl)benzenethiol;molecular hydrogen;dihydrate
CID 156833043
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 176863733
[7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate
CID 175402432
3,6-dichloro-N-[2,4-difluoro-3-[2-(2-hydroxyethylamino)quinazolin-6-yl]phenyl]-5-(hydroxymethyl)cyclohexa-2,4-diene-1-sulfonamide
CID 156833170
6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2,6-difluorophenyl]quinazolin-2-amine
CID 156833178

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide (CID 156833144) is N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4ccc(F)c(Cl)c4)c3F)ccc2n1.
What is the InChIKey of N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is CQDDHXKNAWYHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O3S/c1-25(2,3)23(34)32-24-30-12-14-10-13(4-8-19(14)31-24)21-18(28)7-9-20(22(21)29)33-37(35,36)15-5-6-17(27)16(26)11-15/h4-12,33H,1-3H3,(H,30,31,32,34).
What are the key properties of N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 548.97 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 156833144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).