N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide

C19H20ClFN4O2S — CID 26335244

IUPACN-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1nc(NCc2ccc(F)cc2)c2ccc(Cl)cc2n1
InChIInChI=1S/C19H20ClFN4O2S/c1-12(2)28(26,27)23-11-18-24-17-9-14(20)5-8-16(17)19(25-18)22-10-13-3-6-15(21)7-4-13/h3-9,12,23H,10-11H2,1-2H3,(H,22,24,25)
InChIKeyOLNOZTOHZAJFKE-UHFFFAOYSA-N
MW422.91 g/mol
LogP3.86
Rot. Bonds7

About N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide

N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide (PubChem CID 26335244) has the molecular formula C19H20ClFN4O2S and a molecular weight of 422.91 g/mol. Its IUPAC name is N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide
PubChem CID26335244
Molecular FormulaC19H20ClFN4O2S
Molecular Weight422.91 g/mol
Exact Mass422.10
IUPAC NameN-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1nc(NCc2ccc(F)cc2)c2ccc(Cl)cc2n1
InChIInChI=1S/C19H20ClFN4O2S/c1-12(2)28(26,27)23-11-18-24-17-9-14(20)5-8-16(17)19(25-18)22-10-13-3-6-15(21)7-4-13/h3-9,12,23H,10-11H2,1-2H3,(H,22,24,25)
InChIKeyOLNOZTOHZAJFKE-UHFFFAOYSA-N
XLogP3.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide (CID 26335244) is N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1nc(NCc2ccc(F)cc2)c2ccc(Cl)cc2n1.
What is the InChIKey of N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide?
The InChIKey is OLNOZTOHZAJFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2S/c1-12(2)28(26,27)23-11-18-24-17-9-14(20)5-8-16(17)19(25-18)22-10-13-3-6-15(21)7-4-13/h3-9,12,23H,10-11H2,1-2H3,(H,22,24,25).
What are the key properties of N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide?
N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide has a molecular weight of 422.91 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 26335244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).