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

C16H16N4O2S — CID 3233937

IUPACN-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCNc1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12
InChIInChI=1S/C16H16N4O2S/c1-17-16-14-9-12(6-7-15(14)18-10-19-16)11-4-3-5-13(8-11)20-23(2,21)22/h3-10,20H,1-2H3,(H,17,18,19)
InChIKeyFMDWEFVHOMUZOE-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.71
Rot. Bonds4

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

N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide (PubChem CID 3233937) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide
PubChem CID3233937
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide
SMILESCNc1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12
InChIInChI=1S/C16H16N4O2S/c1-17-16-14-9-12(6-7-15(14)18-10-19-16)11-4-3-5-13(8-11)20-23(2,21)22/h3-10,20H,1-2H3,(H,17,18,19)
InChIKeyFMDWEFVHOMUZOE-UHFFFAOYSA-N
XLogP2.71
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide (CID 3233937) is N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide is CNc1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12.
What is the InChIKey of N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
The InChIKey is FMDWEFVHOMUZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-17-16-14-9-12(6-7-15(14)18-10-19-16)11-4-3-5-13(8-11)20-23(2,21)22/h3-10,20H,1-2H3,(H,17,18,19).
What are the key properties of N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide?
N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methylamino)quinazolin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3233937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).