N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide

C19H21N5O2S — CID 3234955

IUPACN-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(N4CCNCC4)c3c2)c1
InChIInChI=1S/C19H21N5O2S/c1-27(25,26)23-16-4-2-3-14(11-16)15-5-6-18-17(12-15)19(22-13-21-18)24-9-7-20-8-10-24/h2-6,11-13,20,23H,7-10H2,1H3
InChIKeyCXLQFQXHYYKXJS-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.08
Rot. Bonds4

About N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide

N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide (PubChem CID 3234955) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide
PubChem CID3234955
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncnc(N4CCNCC4)c3c2)c1
InChIInChI=1S/C19H21N5O2S/c1-27(25,26)23-16-4-2-3-14(11-16)15-5-6-18-17(12-15)19(22-13-21-18)24-9-7-20-8-10-24/h2-6,11-13,20,23H,7-10H2,1H3
InChIKeyCXLQFQXHYYKXJS-UHFFFAOYSA-N
XLogP2.08
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide (CID 3234955) is N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(N4CCNCC4)c3c2)c1.
What is the InChIKey of N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide?
The InChIKey is CXLQFQXHYYKXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-27(25,26)23-16-4-2-3-14(11-16)15-5-6-18-17(12-15)19(22-13-21-18)24-9-7-20-8-10-24/h2-6,11-13,20,23H,7-10H2,1H3.
What are the key properties of N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide?
N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide has a molecular weight of 383.48 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-piperazin-1-ylquinazolin-6-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 3234955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).