2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide

C13H11Cl2N5O3S — CID 57037211

IUPAC2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-n2cnc3c(Cl)ncnc32)c(OC)cc1Cl
InChIInChI=1S/C13H11Cl2N5O3S/c1-16-24(21,22)10-4-8(9(23-2)3-7(10)14)20-6-19-11-12(15)17-5-18-13(11)20/h3-6,16H,1-2H3
InChIKeyNLRBHMYXLIVXFF-UHFFFAOYSA-N
MW388.24 g/mol
LogP2.04
Rot. Bonds4

About 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide

2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 57037211) has the molecular formula C13H11Cl2N5O3S and a molecular weight of 388.24 g/mol. Its IUPAC name is 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide
PubChem CID57037211
Molecular FormulaC13H11Cl2N5O3S
Molecular Weight388.24 g/mol
Exact Mass387.00
IUPAC Name2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-n2cnc3c(Cl)ncnc32)c(OC)cc1Cl
InChIInChI=1S/C13H11Cl2N5O3S/c1-16-24(21,22)10-4-8(9(23-2)3-7(10)14)20-6-19-11-12(15)17-5-18-13(11)20/h3-6,16H,1-2H3
InChIKeyNLRBHMYXLIVXFF-UHFFFAOYSA-N
XLogP2.04
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide 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

N-methyl-4-propan-2-yloxy-3-(7H-purin-6-ylamino)benzenesulfonamide
CID 54675599
4-butan-2-yloxy-N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide
CID 67996393
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine
CID 68775501
4-methoxy-N-methyl-3-(7H-purin-6-ylamino)benzenesulfinamide
CID 123949430
4-methoxy-N-methyl-3-(7H-purin-6-ylamino)benzenesulfonamide
CID 54675600
6-Chloro-7-(2-methoxyphenyl)purin-8-amine
CID 132588127
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 133834600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide (CID 57037211) is 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(-n2cnc3c(Cl)ncnc32)c(OC)cc1Cl.
What is the InChIKey of 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is NLRBHMYXLIVXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5O3S/c1-16-24(21,22)10-4-8(9(23-2)3-7(10)14)20-6-19-11-12(15)17-5-18-13(11)20/h3-6,16H,1-2H3.
What are the key properties of 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide?
2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 388.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(6-chloropurin-9-yl)-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 57037211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).