N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide

C19H15BrClN3O3S — CID 19119637

IUPACN-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
SMILESCc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C19H15BrClN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(21)17(24-19)18(25)23-15-8-6-14(20)7-9-15/h2-10H,11H2,1H3,(H,23,25)
InChIKeyOLCUYDOKUWHXTL-UHFFFAOYSA-N
MW480.77 g/mol
LogP4.43
Rot. Bonds5

About N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide

N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide (PubChem CID 19119637) has the molecular formula C19H15BrClN3O3S and a molecular weight of 480.77 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
PubChem CID19119637
Molecular FormulaC19H15BrClN3O3S
Molecular Weight480.77 g/mol
Exact Mass478.97
IUPAC NameN-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
SMILESCc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C19H15BrClN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(21)17(24-19)18(25)23-15-8-6-14(20)7-9-15/h2-10H,11H2,1H3,(H,23,25)
InChIKeyOLCUYDOKUWHXTL-UHFFFAOYSA-N
XLogP4.43
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
CID 19119763
5-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
CID 19119772
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902
5-chloro-2-[(2-methylphenyl)methylsulfonyl]-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
CID 19119742
5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 2988172
(4-fluorophenyl) 5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylate
CID 19119662
5-chloro-2-ethylsulfonyl-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 19245788
5-chloro-N-(3,4-dichlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide
CID 19119370
5-chloro-2-ethylsulfonyl-N-(6-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 19245791
5-chloro-N-(2,3-dichlorophenyl)-2-ethylsulfonylpyrimidine-4-carboxamide
CID 6457019
(2,3-dimethylphenyl) 5-chloro-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxylate
CID 39867242
5-chloro-2-[(2-methylphenyl)methylsulfanyl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-4-carboxamide
CID 19119409

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide (CID 19119637) is N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide is Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide?
The InChIKey is OLCUYDOKUWHXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3O3S/c1-12-4-2-3-5-13(12)11-28(26,27)19-22-10-16(21)17(24-19)18(25)23-15-8-6-14(20)7-9-15/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide?
N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide has a molecular weight of 480.77 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-chloro-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 19119637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).