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

C21H15ClF2N4O2S — CID 156833311

IUPACN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)c(-c3ccc4nc(N)ncc4c3)c2F)cc1Cl
InChIInChI=1S/C21H15ClF2N4O2S/c1-11-2-4-14(9-15(11)22)31(29,30)28-18-7-5-16(23)19(20(18)24)12-3-6-17-13(8-12)10-26-21(25)27-17/h2-10,28H,1H3,(H2,25,26,27)
InChIKeyKRTXMMIUJPMFPA-UHFFFAOYSA-N
MW460.89 g/mol
LogP4.92
Rot. Bonds4

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

N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide (PubChem CID 156833311) has the molecular formula C21H15ClF2N4O2S and a molecular weight of 460.89 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide
PubChem CID156833311
Molecular FormulaC21H15ClF2N4O2S
Molecular Weight460.89 g/mol
Exact Mass460.06
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)c(-c3ccc4nc(N)ncc4c3)c2F)cc1Cl
InChIInChI=1S/C21H15ClF2N4O2S/c1-11-2-4-14(9-15(11)22)31(29,30)28-18-7-5-16(23)19(20(18)24)12-3-6-17-13(8-12)10-26-21(25)27-17/h2-10,28H,1H3,(H2,25,26,27)
InChIKeyKRTXMMIUJPMFPA-UHFFFAOYSA-N
XLogP4.92
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.89
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
CID 156833076
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
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 176863733
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
6-[2,6-difluoro-3-[(3-fluoro-4-methylphenyl)sulfanylamino]phenyl]quinazolin-2-amine;ethane
CID 156833105
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-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide
CID 167484148
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide (CID 156833311) is N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)c(-c3ccc4nc(N)ncc4c3)c2F)cc1Cl.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide?
The InChIKey is KRTXMMIUJPMFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N4O2S/c1-11-2-4-14(9-15(11)22)31(29,30)28-18-7-5-16(23)19(20(18)24)12-3-6-17-13(8-12)10-26-21(25)27-17/h2-10,28H,1H3,(H2,25,26,27).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide?
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide has a molecular weight of 460.89 g/mol, XLogP of 4.92, 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-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 156833311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).