N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide

C14H15BrN4O2S — CID 68677729

IUPACN-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide
SMILESNc1ncc2c(n1)CCC(NS(=O)(=O)c1cccc(Br)c1)C2
InChIInChI=1S/C14H15BrN4O2S/c15-10-2-1-3-12(7-10)22(20,21)19-11-4-5-13-9(6-11)8-17-14(16)18-13/h1-3,7-8,11,19H,4-6H2,(H2,16,17,18)
InChIKeyBWLOGPMYIAPIAQ-UHFFFAOYSA-N
MW383.27 g/mol
LogP1.66
Rot. Bonds3

About N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide

N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide (PubChem CID 68677729) has the molecular formula C14H15BrN4O2S and a molecular weight of 383.27 g/mol. Its IUPAC name is N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide
PubChem CID68677729
Molecular FormulaC14H15BrN4O2S
Molecular Weight383.27 g/mol
Exact Mass382.01
IUPAC NameN-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide
SMILESNc1ncc2c(n1)CCC(NS(=O)(=O)c1cccc(Br)c1)C2
InChIInChI=1S/C14H15BrN4O2S/c15-10-2-1-3-12(7-10)22(20,21)19-11-4-5-13-9(6-11)8-17-14(16)18-13/h1-3,7-8,11,19H,4-6H2,(H2,16,17,18)
InChIKeyBWLOGPMYIAPIAQ-UHFFFAOYSA-N
XLogP1.66
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide?
The IUPAC name of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide (CID 68677729) is N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide?
The canonical SMILES for N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide is Nc1ncc2c(n1)CCC(NS(=O)(=O)c1cccc(Br)c1)C2.
What is the InChIKey of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide?
The InChIKey is BWLOGPMYIAPIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2S/c15-10-2-1-3-12(7-10)22(20,21)19-11-4-5-13-9(6-11)8-17-14(16)18-13/h1-3,7-8,11,19H,4-6H2,(H2,16,17,18).
What are the key properties of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide?
N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide has a molecular weight of 383.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-3-bromobenzenesulfonamide is sourced from PubChem (CID 68677729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).