4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide

C17H13Cl2N3O2S — CID 19735305

IUPAC4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13Cl2N3O2S/c1-11-2-4-12(5-3-11)15-16(19)20-10-21-17(15)22-25(23,24)14-8-6-13(18)7-9-14/h2-10H,1H3,(H,20,21,22)
InChIKeyDBDCDZZIZDBHBM-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.56
Rot. Bonds4

About 4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide

4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 19735305) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
PubChem CID19735305
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC Name4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13Cl2N3O2S/c1-11-2-4-12(5-3-11)15-16(19)20-10-21-17(15)22-25(23,24)14-8-6-13(18)7-9-14/h2-10H,1H3,(H,20,21,22)
InChIKeyDBDCDZZIZDBHBM-UHFFFAOYSA-N
XLogP4.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide
CID 19735300
4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735447
N-[6-chloro-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 19735304
N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide
CID 19735274
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[6-(1-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 142638406
4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735421
N-[5-(4-chlorophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
CID 19735478
N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 11091234
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide (CID 19735305) is 4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide is Cc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is DBDCDZZIZDBHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c1-11-2-4-12(5-3-11)15-16(19)20-10-21-17(15)22-25(23,24)14-8-6-13(18)7-9-14/h2-10H,1H3,(H,20,21,22).
What are the key properties of 4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide?
4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 394.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 19735305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).