N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide

C17H18N4O2S — CID 3235544

IUPACN-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCN(C)c1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12
InChIInChI=1S/C17H18N4O2S/c1-21(2)17-15-10-13(7-8-16(15)18-11-19-17)12-5-4-6-14(9-12)20-24(3,22)23/h4-11,20H,1-3H3
InChIKeyJQJKUDDIHIAQBX-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.73
Rot. Bonds4

About N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide

N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide (PubChem CID 3235544) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
PubChem CID3235544
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCN(C)c1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12
InChIInChI=1S/C17H18N4O2S/c1-21(2)17-15-10-13(7-8-16(15)18-11-19-17)12-5-4-6-14(9-12)20-24(3,22)23/h4-11,20H,1-3H3
InChIKeyJQJKUDDIHIAQBX-UHFFFAOYSA-N
XLogP2.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide (CID 3235544) is N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide is CN(C)c1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12.
What is the InChIKey of N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The InChIKey is JQJKUDDIHIAQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-21(2)17-15-10-13(7-8-16(15)18-11-19-17)12-5-4-6-14(9-12)20-24(3,22)23/h4-11,20H,1-3H3.
What are the key properties of N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)quinazolin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3235544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).