N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide

C21H18ClN3O2S — CID 27055349

IUPACN-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=N[C@H](c3ccccc3)c3cc(Cl)ccc3N2)cc1
InChIInChI=1S/C21H18ClN3O2S/c1-14-7-10-17(11-8-14)28(26,27)25-21-23-19-12-9-16(22)13-18(19)20(24-21)15-5-3-2-4-6-15/h2-13,20H,1H3,(H2,23,24,25)/t20-/m1/s1
InChIKeyQMADYPCIVBSICM-HXUWFJFHSA-N
MW411.91 g/mol
LogP4.50
Rot. Bonds3

About N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide

N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 27055349) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide
PubChem CID27055349
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC NameN-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=N[C@H](c3ccccc3)c3cc(Cl)ccc3N2)cc1
InChIInChI=1S/C21H18ClN3O2S/c1-14-7-10-17(11-8-14)28(26,27)25-21-23-19-12-9-16(22)13-18(19)20(24-21)15-5-3-2-4-6-15/h2-13,20H,1H3,(H2,23,24,25)/t20-/m1/s1
InChIKeyQMADYPCIVBSICM-HXUWFJFHSA-N
XLogP4.50
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide (CID 27055349) is N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=N[C@H](c3ccccc3)c3cc(Cl)ccc3N2)cc1.
What is the InChIKey of N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is QMADYPCIVBSICM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c1-14-7-10-17(11-8-14)28(26,27)25-21-23-19-12-9-16(22)13-18(19)20(24-21)15-5-3-2-4-6-15/h2-13,20H,1H3,(H2,23,24,25)/t20-/m1/s1.
What are the key properties of N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide?
N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 411.91 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 27055349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).