N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide

C13H17N5O2S — CID 176943928

IUPACN-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc3ncncc3c2)CC1
InChIInChI=1S/C13H17N5O2S/c1-17-4-6-18(7-5-17)16-21(19,20)12-2-3-13-11(8-12)9-14-10-15-13/h2-3,8-10,16H,4-7H2,1H3
InChIKeyLJGJLEFFEIPWKO-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.07
Rot. Bonds3

About N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide

N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide (PubChem CID 176943928) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide
PubChem CID176943928
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc3ncncc3c2)CC1
InChIInChI=1S/C13H17N5O2S/c1-17-4-6-18(7-5-17)16-21(19,20)12-2-3-13-11(8-12)9-14-10-15-13/h2-3,8-10,16H,4-7H2,1H3
InChIKeyLJGJLEFFEIPWKO-UHFFFAOYSA-N
XLogP0.07
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide (CID 176943928) is N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide is CN1CCN(NS(=O)(=O)c2ccc3ncncc3c2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide?
The InChIKey is LJGJLEFFEIPWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-17-4-6-18(7-5-17)16-21(19,20)12-2-3-13-11(8-12)9-14-10-15-13/h2-3,8-10,16H,4-7H2,1H3.
What are the key properties of N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide?
N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide is sourced from PubChem (CID 176943928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).