2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide

C17H16Cl2N4O2S — CID 45380043

IUPAC2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)CCNc1nc(Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C17H16Cl2N4O2S/c1-23(13-5-3-2-4-6-13)26(24,25)10-9-20-16-14-11-12(18)7-8-15(14)21-17(19)22-16/h2-8,11H,9-10H2,1H3,(H,20,21,22)
InChIKeyCMPKLWKVQOYEIJ-UHFFFAOYSA-N
MW411.31 g/mol
LogP3.81
Rot. Bonds6

About 2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide

2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide (PubChem CID 45380043) has the molecular formula C17H16Cl2N4O2S and a molecular weight of 411.31 g/mol. Its IUPAC name is 2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide.

Molecular Properties

Compound Name2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide
PubChem CID45380043
Molecular FormulaC17H16Cl2N4O2S
Molecular Weight411.31 g/mol
Exact Mass410.04
IUPAC Name2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)CCNc1nc(Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C17H16Cl2N4O2S/c1-23(13-5-3-2-4-6-13)26(24,25)10-9-20-16-14-11-12(18)7-8-15(14)21-17(19)22-16/h2-8,11H,9-10H2,1H3,(H,20,21,22)
InChIKeyCMPKLWKVQOYEIJ-UHFFFAOYSA-N
XLogP3.81
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide
CID 45380048
N-phenyl-2-[(2,6,7-trichloroquinazolin-4-yl)amino]ethanesulfonamide
CID 45380169
2,4-dichloro-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287713
N-(2,6-dichloroquinazolin-4-yl)acetamide
CID 133062371
6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981017
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine
CID 24860253
N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973831
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379
N-(3-chlorophenyl)-N-methylethanesulfonamide
CID 118612457

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide?
The IUPAC name of 2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide (CID 45380043) is 2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide.
What is the SMILES notation for 2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide?
The canonical SMILES for 2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide is CN(c1ccccc1)S(=O)(=O)CCNc1nc(Cl)nc2ccc(Cl)cc12.
What is the InChIKey of 2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide?
The InChIKey is CMPKLWKVQOYEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2S/c1-23(13-5-3-2-4-6-13)26(24,25)10-9-20-16-14-11-12(18)7-8-15(14)21-17(19)22-16/h2-8,11H,9-10H2,1H3,(H,20,21,22).
What are the key properties of 2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide?
2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide has a molecular weight of 411.31 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide is sourced from PubChem (CID 45380043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).