4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide

C22H23ClN4O2S — CID 52947008

IUPAC4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(NCCc2ccccc2)nc2c1CCCC2)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2S/c23-17-10-12-18(13-11-17)30(28,29)27-21-19-8-4-5-9-20(19)25-22(26-21)24-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H2,24,25,26,27)
InChIKeyJQZCAJFXIUZWDM-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.46
Rot. Bonds7

About 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide

4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide (PubChem CID 52947008) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide
PubChem CID52947008
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC Name4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(NCCc2ccccc2)nc2c1CCCC2)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2S/c23-17-10-12-18(13-11-17)30(28,29)27-21-19-8-4-5-9-20(19)25-22(26-21)24-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H2,24,25,26,27)
InChIKeyJQZCAJFXIUZWDM-UHFFFAOYSA-N
XLogP4.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[6-methyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]benzenesulfonamide
CID 52944463
4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941890
4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide
CID 72907968
4-[2-[(3-amino-2-chloro-5,6,7,8-tetrahydroquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 139793800
6-chloro-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 138683091
4-[[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]methyl]benzoic acid
CID 20873702
N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide
CID 133434691
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 61380564

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide (CID 52947008) is 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide is O=S(=O)(Nc1nc(NCCc2ccccc2)nc2c1CCCC2)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide?
The InChIKey is JQZCAJFXIUZWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c23-17-10-12-18(13-11-17)30(28,29)27-21-19-8-4-5-9-20(19)25-22(26-21)24-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14-15H2,(H2,24,25,26,27).
What are the key properties of 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide?
4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide has a molecular weight of 442.97 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide is sourced from PubChem (CID 52947008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).