N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide

C16H13ClN4O3S — CID 22693251

IUPACN-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C16H13ClN4O3S/c1-10(22)21-25(23,24)12-8-6-11(7-9-12)18-15-13-4-2-3-5-14(13)19-16(17)20-15/h2-9H,1H3,(H,21,22)(H,18,19,20)
InChIKeySXHMYIGLOOXFAJ-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.85
Rot. Bonds4

About N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide

N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide (PubChem CID 22693251) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide
PubChem CID22693251
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC NameN-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C16H13ClN4O3S/c1-10(22)21-25(23,24)12-8-6-11(7-9-12)18-15-13-4-2-3-5-14(13)19-16(17)20-15/h2-9H,1H3,(H,21,22)(H,18,19,20)
InChIKeySXHMYIGLOOXFAJ-UHFFFAOYSA-N
XLogP2.85
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide 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

4-[(2-chloroquinazolin-4-yl)amino]benzoic acid
CID 22692967
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
4-[(2-chloroquinazolin-4-yl)amino]benzamide
CID 22692750
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetic acid
CID 22693237
N-(4-anilinoquinazolin-2-yl)acetamide
CID 69107194
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 22692746
[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone
CID 85471593
butyl 4-[(2-chloroquinazolin-4-yl)amino]benzoate
CID 22693003
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide (CID 22693251) is N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide?
The InChIKey is SXHMYIGLOOXFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c1-10(22)21-25(23,24)12-8-6-11(7-9-12)18-15-13-4-2-3-5-14(13)19-16(17)20-15/h2-9H,1H3,(H,21,22)(H,18,19,20).
What are the key properties of N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide?
N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide has a molecular weight of 376.83 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]sulfonylacetamide is sourced from PubChem (CID 22693251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).