4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide

C24H20ClN3O4S — CID 19735421

IUPAC4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncnc(OCCO)c1-c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O4S/c25-20-10-12-21(13-11-20)33(30,31)28-23-22(24(27-16-26-23)32-15-14-29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-13,16,29H,14-15H2,(H,26,27,28)
InChIKeyDMKRWQDRKHZSKO-UHFFFAOYSA-N
MW481.96 g/mol
LogP4.64
Rot. Bonds8

About 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide

4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 19735421) has the molecular formula C24H20ClN3O4S and a molecular weight of 481.96 g/mol. Its IUPAC name is 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
PubChem CID19735421
Molecular FormulaC24H20ClN3O4S
Molecular Weight481.96 g/mol
Exact Mass481.09
IUPAC Name4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncnc(OCCO)c1-c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClN3O4S/c25-20-10-12-21(13-11-20)33(30,31)28-23-22(24(27-16-26-23)32-15-14-29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-13,16,29H,14-15H2,(H,26,27,28)
InChIKeyDMKRWQDRKHZSKO-UHFFFAOYSA-N
XLogP4.64
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-chlorophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
CID 19735478
4-chloro-N-[5-(4-chlorophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 19735506
4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735447
(E)-N-[5-(4-bromophenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 23394012
4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735305
4-tert-butyl-N-[5-(4-methylphenyl)-6-(2-pyridin-2-yloxyethoxy)pyrimidin-4-yl]benzenesulfonamide
CID 173316064
N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide
CID 19735300
4-chloro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075945
N-[6-[2-(benzylsulfonylmethylamino)ethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-tert-butylbenzenesulfonamide
CID 139913235
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide
CID 67014664
CID 67849083
CID 67849083
N-[6-(1-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 142638406

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide (CID 19735421) is 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide is O=S(=O)(Nc1ncnc(OCCO)c1-c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is DMKRWQDRKHZSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4S/c25-20-10-12-21(13-11-20)33(30,31)28-23-22(24(27-16-26-23)32-15-14-29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-13,16,29H,14-15H2,(H,26,27,28).
What are the key properties of 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide?
4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 481.96 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2-hydroxyethoxy)-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 19735421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).