3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide

C25H20Cl2F2N4O3S — CID 175850288

IUPAC3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ncc2c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3F)cccc2n1)C(N)=O
InChIInChI=1S/C25H20Cl2F2N4O3S/c1-25(2,24(30)34)11-21-31-12-15-14(4-3-5-18(15)32-21)22-17(28)8-9-19(23(22)29)33-37(35,36)20-10-13(26)6-7-16(20)27/h3-10,12,33H,11H2,1-2H3,(H2,30,34)
InChIKeyYKNVJZGPHRQRBW-UHFFFAOYSA-N
MW565.43 g/mol
LogP5.74
Rot. Bonds7

About 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide

3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide (PubChem CID 175850288) has the molecular formula C25H20Cl2F2N4O3S and a molecular weight of 565.43 g/mol. Its IUPAC name is 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
PubChem CID175850288
Molecular FormulaC25H20Cl2F2N4O3S
Molecular Weight565.43 g/mol
Exact Mass564.06
IUPAC Name3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ncc2c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3F)cccc2n1)C(N)=O
InChIInChI=1S/C25H20Cl2F2N4O3S/c1-25(2,24(30)34)11-21-31-12-15-14(4-3-5-18(15)32-21)22-17(28)8-9-19(23(22)29)33-37(35,36)20-10-13(26)6-7-16(20)27/h3-10,12,33H,11H2,1-2H3,(H2,30,34)
InChIKeyYKNVJZGPHRQRBW-UHFFFAOYSA-N
XLogP5.74
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.43
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[3-(2-aminoquinazolin-5-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833405
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833222
[7-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl] carbamate
CID 175402432
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 51116002
5-(5-amino-6-propanoylpyrazin-2-yl)-2-chloro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 146691024
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167250860
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
N-(2-amino-4-hydroxyphenyl)-2,5-dichlorobenzenesulfonamide
CID 107697838
N-[3-(2-aminoquinazolin-6-yl)-2,6-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833143
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 115910815
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide (CID 175850288) is 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide is CC(C)(Cc1ncc2c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)c3F)cccc2n1)C(N)=O.
What is the InChIKey of 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is YKNVJZGPHRQRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F2N4O3S/c1-25(2,24(30)34)11-21-31-12-15-14(4-3-5-18(15)32-21)22-17(28)8-9-19(23(22)29)33-37(35,36)20-10-13(26)6-7-16(20)27/h3-10,12,33H,11H2,1-2H3,(H2,30,34).
What are the key properties of 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 565.43 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[(2,5-dichlorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 175850288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).