N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide

C24H26ClN3O2S — CID 19735274

IUPACN-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide
SMILESCC(C)c1ccc(-c2c(Cl)ncnc2NS(=O)(=O)c2ccc(C3CCCC3)cc2)cc1
InChIInChI=1S/C24H26ClN3O2S/c1-16(2)17-7-9-20(10-8-17)22-23(25)26-15-27-24(22)28-31(29,30)21-13-11-19(12-14-21)18-5-3-4-6-18/h7-16,18H,3-6H2,1-2H3,(H,26,27,28)
InChIKeyQRIDXTVIZQTHTK-UHFFFAOYSA-N
MW456.01 g/mol
LogP6.38
Rot. Bonds6

About N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide

N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide (PubChem CID 19735274) has the molecular formula C24H26ClN3O2S and a molecular weight of 456.01 g/mol. Its IUPAC name is N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide
PubChem CID19735274
Molecular FormulaC24H26ClN3O2S
Molecular Weight456.01 g/mol
Exact Mass455.14
IUPAC NameN-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide
SMILESCC(C)c1ccc(-c2c(Cl)ncnc2NS(=O)(=O)c2ccc(C3CCCC3)cc2)cc1
InChIInChI=1S/C24H26ClN3O2S/c1-16(2)17-7-9-20(10-8-17)22-23(25)26-15-27-24(22)28-31(29,30)21-13-11-19(12-14-21)18-5-3-4-6-18/h7-16,18H,3-6H2,1-2H3,(H,26,27,28)
InChIKeyQRIDXTVIZQTHTK-UHFFFAOYSA-N
XLogP6.38
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.01
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-chloro-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 19735304
4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735305
4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735447
N-[5-(4-bromophenyl)-6-chloropyrimidin-4-yl]-4-chlorobenzenesulfonamide
CID 19735300
N-[6-(1-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 142638406
N-[6-chloro-5-[(2-chlorophenyl)methyl]pyrimidin-4-yl]-4-cyclohexylbenzenesulfonamide
CID 19735410
N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 11091234
N-cyclopentyl-4-propan-2-ylbenzenesulfonamide
CID 6469335
N-(6-chloropyrimidin-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 86003781
4-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 35539697
5-(4-bromophenyl)-6-chloro-N-(1-methoxyethylsulfamoyl)pyrimidin-4-amine
CID 91453886
N-cyclopentyloxy-4-propan-2-ylbenzenesulfonamide
CID 83228861

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide?
The IUPAC name of N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide (CID 19735274) is N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide.
What is the SMILES notation for N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide?
The canonical SMILES for N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide is CC(C)c1ccc(-c2c(Cl)ncnc2NS(=O)(=O)c2ccc(C3CCCC3)cc2)cc1.
What is the InChIKey of N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide?
The InChIKey is QRIDXTVIZQTHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2S/c1-16(2)17-7-9-20(10-8-17)22-23(25)26-15-27-24(22)28-31(29,30)21-13-11-19(12-14-21)18-5-3-4-6-18/h7-16,18H,3-6H2,1-2H3,(H,26,27,28).
What are the key properties of N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide?
N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide has a molecular weight of 456.01 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(4-propan-2-ylphenyl)pyrimidin-4-yl]-4-cyclopentylbenzenesulfonamide is sourced from PubChem (CID 19735274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).