4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide

C20H20ClN5O5S — CID 135462126

IUPAC4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide
SMILESCN(CC(=O)NNC(=O)CCc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O5S/c1-26(32(30,31)14-8-6-13(21)7-9-14)12-19(28)25-24-18(27)11-10-17-22-16-5-3-2-4-15(16)20(29)23-17/h2-9H,10-12H2,1H3,(H,24,27)(H,25,28)(H,22,23,29)
InChIKeyBITHHHBANJEUCG-UHFFFAOYSA-N
MW477.93 g/mol
LogP0.98
Rot. Bonds7

About 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide

4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide (PubChem CID 135462126) has the molecular formula C20H20ClN5O5S and a molecular weight of 477.93 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide
PubChem CID135462126
Molecular FormulaC20H20ClN5O5S
Molecular Weight477.93 g/mol
Exact Mass477.09
IUPAC Name4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide
SMILESCN(CC(=O)NNC(=O)CCc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O5S/c1-26(32(30,31)14-8-6-13(21)7-9-14)12-19(28)25-24-18(27)11-10-17-22-16-5-3-2-4-15(16)20(29)23-17/h2-9H,10-12H2,1H3,(H,24,27)(H,25,28)(H,22,23,29)
InChIKeyBITHHHBANJEUCG-UHFFFAOYSA-N
XLogP0.98
TPSA141.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]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

3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135915051
N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 1329391
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135939335
N-[1-(2-chlorophenyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135993503
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137300679

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide (CID 135462126) is 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide is CN(CC(=O)NNC(=O)CCc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide?
The InChIKey is BITHHHBANJEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O5S/c1-26(32(30,31)14-8-6-13(21)7-9-14)12-19(28)25-24-18(27)11-10-17-22-16-5-3-2-4-15(16)20(29)23-17/h2-9H,10-12H2,1H3,(H,24,27)(H,25,28)(H,22,23,29).
What are the key properties of 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide?
4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide has a molecular weight of 477.93 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[2-oxo-2-[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]hydrazinyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 135462126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).