N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide

C18H17N3O4S — CID 122303990

IUPACN-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c(OC)n1
InChIInChI=1S/C18H17N3O4S/c1-24-17-16(12-19-18(20-17)25-2)21-26(22,23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,21H,1-2H3
InChIKeyGYXQWHGEZSNCOI-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.96
Rot. Bonds6

About N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide

N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide (PubChem CID 122303990) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide
PubChem CID122303990
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c(OC)n1
InChIInChI=1S/C18H17N3O4S/c1-24-17-16(12-19-18(20-17)25-2)21-26(22,23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,21H,1-2H3
InChIKeyGYXQWHGEZSNCOI-UHFFFAOYSA-N
XLogP2.96
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxypyrimidin-5-yl)-3-nitrobenzenesulfonamide
CID 122304240
N-[2-(2,4-dimethoxypyrimidin-5-yl)sulfanylphenyl]-4-methylbenzenesulfonamide
CID 101107697
N-(2,4-dimethoxypyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122304201
N-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122304242
N-[2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynoxy]phenyl]-4-methylbenzenesulfonamide
CID 10551038
N-[4-methoxy-2-[2-(propylamino)ethoxy]pyrimidin-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 66720161
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide
CID 122319347
4-methoxy-N-(2-phenyl-3-pyridinyl)benzenesulfonamide
CID 154631921
N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 122304353
N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 141461668
N-(2,4-dimethoxypyrimidin-5-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122304210

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide (CID 122303990) is N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide is COc1ncc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c(OC)n1.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide?
The InChIKey is GYXQWHGEZSNCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-24-17-16(12-19-18(20-17)25-2)21-26(22,23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,21H,1-2H3.
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide?
N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxypyrimidin-5-yl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 122303990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).