N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide

C20H12Cl2F2N4O2S — CID 156833076

IUPACN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
SMILESNc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c3F)ccc2n1
InChIInChI=1S/C20H12Cl2F2N4O2S/c21-13-3-2-12(8-14(13)22)31(29,30)28-17-6-4-15(23)18(19(17)24)10-1-5-16-11(7-10)9-26-20(25)27-16/h1-9,28H,(H2,25,26,27)
InChIKeyFCHNTRDLHSAWAC-UHFFFAOYSA-N
MW481.31 g/mol
LogP5.26
Rot. Bonds4

About N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide

N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide (PubChem CID 156833076) has the molecular formula C20H12Cl2F2N4O2S and a molecular weight of 481.31 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
PubChem CID156833076
Molecular FormulaC20H12Cl2F2N4O2S
Molecular Weight481.31 g/mol
Exact Mass480.00
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
SMILESNc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c3F)ccc2n1
InChIInChI=1S/C20H12Cl2F2N4O2S/c21-13-3-2-12(8-14(13)22)31(29,30)28-17-6-4-15(23)18(19(17)24)10-1-5-16-11(7-10)9-26-20(25)27-16/h1-9,28H,(H2,25,26,27)
InChIKeyFCHNTRDLHSAWAC-UHFFFAOYSA-N
XLogP5.26
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.31
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide
CID 156833311
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833222
N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833144
6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2,6-difluorophenyl]quinazolin-2-amine
CID 156833178
6-[2,6-difluoro-3-[(2,4,5-trichlorophenyl)sulfanylamino]phenyl]quinazolin-2-amine
CID 156832892
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 176863733
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide
CID 167484148
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-4-methoxycyclohexane-1-sulfonamide
CID 167484153
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)-2,6-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833143
6-[2,6-difluoro-3-[(3-fluoro-4-methylphenyl)sulfanylamino]phenyl]quinazolin-2-amine;ethane
CID 156833105

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide (CID 156833076) is N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide is Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c3F)ccc2n1.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide?
The InChIKey is FCHNTRDLHSAWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F2N4O2S/c21-13-3-2-12(8-14(13)22)31(29,30)28-17-6-4-15(23)18(19(17)24)10-1-5-16-11(7-10)9-26-20(25)27-16/h1-9,28H,(H2,25,26,27).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide?
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide has a molecular weight of 481.31 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 156833076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).