6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine

C14H11ClN4O2S — CID 555157

IUPAC6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Cl)c(S(=O)(=O)c3ccccc3)ccc2n1
InChIInChI=1S/C14H11ClN4O2S/c15-12-10(22(20,21)8-4-2-1-3-5-8)7-6-9-11(12)13(16)19-14(17)18-9/h1-7H,(H4,16,17,18,19)
InChIKeyLUJGCEPJHUUVSI-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.28
Rot. Bonds2

About 6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine

6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine (PubChem CID 555157) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine
PubChem CID555157
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Cl)c(S(=O)(=O)c3ccccc3)ccc2n1
InChIInChI=1S/C14H11ClN4O2S/c15-12-10(22(20,21)8-4-2-1-3-5-8)7-6-9-11(12)13(16)19-14(17)18-9/h1-7H,(H4,16,17,18,19)
InChIKeyLUJGCEPJHUUVSI-UHFFFAOYSA-N
XLogP2.28
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine?
The IUPAC name of 6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine (CID 555157) is 6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine.
What is the SMILES notation for 6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine?
The canonical SMILES for 6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine is Nc1nc(N)c2c(Cl)c(S(=O)(=O)c3ccccc3)ccc2n1.
What is the InChIKey of 6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine?
The InChIKey is LUJGCEPJHUUVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c15-12-10(22(20,21)8-4-2-1-3-5-8)7-6-9-11(12)13(16)19-14(17)18-9/h1-7H,(H4,16,17,18,19).
What are the key properties of 6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine?
6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine has a molecular weight of 334.79 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-5-chloroquinazoline-2,4-diamine is sourced from PubChem (CID 555157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).