4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide

C18H20BrN5O2S — CID 24986332

IUPAC4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Nc2ncc3cc(Br)ccc3n2)cc1
InChIInChI=1S/C18H20BrN5O2S/c1-24(2)10-9-21-27(25,26)16-6-4-15(5-7-16)22-18-20-12-13-11-14(19)3-8-17(13)23-18/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22,23)
InChIKeyXZGJIZUEBGTNLH-UHFFFAOYSA-N
MW450.36 g/mol
LogP2.98
Rot. Bonds7

About 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide

4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 24986332) has the molecular formula C18H20BrN5O2S and a molecular weight of 450.36 g/mol. Its IUPAC name is 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID24986332
Molecular FormulaC18H20BrN5O2S
Molecular Weight450.36 g/mol
Exact Mass449.05
IUPAC Name4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(Nc2ncc3cc(Br)ccc3n2)cc1
InChIInChI=1S/C18H20BrN5O2S/c1-24(2)10-9-21-27(25,26)16-6-4-15(5-7-16)22-18-20-12-13-11-14(19)3-8-17(13)23-18/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22,23)
InChIKeyXZGJIZUEBGTNLH-UHFFFAOYSA-N
XLogP2.98
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromoanilino)quinazolin-6-ol
CID 59254881
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
N-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931
N-[3-(dimethylamino)propyl]-4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 68674614
3-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 115328557
N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760103
6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride
CID 142637448
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
CID 110454140

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CID 24986332) is 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(Nc2ncc3cc(Br)ccc3n2)cc1.
What is the InChIKey of 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is XZGJIZUEBGTNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O2S/c1-24(2)10-9-21-27(25,26)16-6-4-15(5-7-16)22-18-20-12-13-11-14(19)3-8-17(13)23-18/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22,23).
What are the key properties of 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 450.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 24986332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).