4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide

C26H16ClF3N6O3S — CID 162655197

IUPAC4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide
SMILESNc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3cccnc3)cc12
InChIInChI=1S/C26H16ClF3N6O3S/c27-18-4-6-20(36-40(38,39)21-10-15(28)3-5-19(21)29)22(30)24(18)35-26(37)17-9-14(13-2-1-7-32-11-13)8-16-23(17)33-12-34-25(16)31/h1-12,36H,(H,35,37)(H2,31,33,34)
InChIKeyQMFWTNFQCYXRCL-UHFFFAOYSA-N
MW584.97 g/mol
LogP5.40
Rot. Bonds6

About 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide

4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide (PubChem CID 162655197) has the molecular formula C26H16ClF3N6O3S and a molecular weight of 584.97 g/mol. Its IUPAC name is 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide
PubChem CID162655197
Molecular FormulaC26H16ClF3N6O3S
Molecular Weight584.97 g/mol
Exact Mass584.06
IUPAC Name4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide
SMILESNc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3cccnc3)cc12
InChIInChI=1S/C26H16ClF3N6O3S/c27-18-4-6-20(36-40(38,39)21-10-15(28)3-5-19(21)29)22(30)24(18)35-26(37)17-9-14(13-2-1-7-32-11-13)8-16-23(17)33-12-34-25(16)31/h1-12,36H,(H,35,37)(H2,31,33,34)
InChIKeyQMFWTNFQCYXRCL-UHFFFAOYSA-N
XLogP5.40
TPSA139.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.97
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide with MolForge

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Related Compounds

N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]-4-methylquinazoline-8-carboxamide
CID 67042873
N-[3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorophenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59418454
2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide
CID 75449193
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide
CID 59418548
N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide
CID 143549199
5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 55676538
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 138707698
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide?
The IUPAC name of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide (CID 162655197) is 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide is Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc(-c3cccnc3)cc12.
What is the InChIKey of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide?
The InChIKey is QMFWTNFQCYXRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClF3N6O3S/c27-18-4-6-20(36-40(38,39)21-10-15(28)3-5-19(21)29)22(30)24(18)35-26(37)17-9-14(13-2-1-7-32-11-13)8-16-23(17)33-12-34-25(16)31/h1-12,36H,(H,35,37)(H2,31,33,34).
What are the key properties of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide?
4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide has a molecular weight of 584.97 g/mol, XLogP of 5.40, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide is sourced from PubChem (CID 162655197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).