N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide

C24H26ClNO5S — CID 23649731

IUPACN-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(OC)c(C(CNS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C24H26ClNO5S/c1-16-5-11-20(12-6-16)32(27,28)26-15-21(17-7-9-18(25)10-8-17)24-22(30-3)13-19(29-2)14-23(24)31-4/h5-14,21,26H,15H2,1-4H3
InChIKeyRRBFFOFQJYJLLP-UHFFFAOYSA-N
MW475.99 g/mol
LogP4.78
Rot. Bonds9

About N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide

N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 23649731) has the molecular formula C24H26ClNO5S and a molecular weight of 475.99 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID23649731
Molecular FormulaC24H26ClNO5S
Molecular Weight475.99 g/mol
Exact Mass475.12
IUPAC NameN-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(OC)c(C(CNS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C24H26ClNO5S/c1-16-5-11-20(12-6-16)32(27,28)26-15-21(17-7-9-18(25)10-8-17)24-22(30-3)13-19(29-2)14-23(24)31-4/h5-14,21,26H,15H2,1-4H3
InChIKeyRRBFFOFQJYJLLP-UHFFFAOYSA-N
XLogP4.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.99
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-1,3,5-trimethoxybenzene
CID 154721045
N-[2-(4-tert-butylphenyl)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 163217185
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 51356051
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-[2-(4-chlorophenyl)-2-[(E)-(4-methoxyphenyl)methylideneamino]oxyethyl]-4-methylbenzenesulfonamide
CID 154718750
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
N-[(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]butyl]-4-methylbenzenesulfonamide
CID 177474536
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide (CID 23649731) is N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide is COc1cc(OC)c(C(CNS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is RRBFFOFQJYJLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO5S/c1-16-5-11-20(12-6-16)32(27,28)26-15-21(17-7-9-18(25)10-8-17)24-22(30-3)13-19(29-2)14-23(24)31-4/h5-14,21,26H,15H2,1-4H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 475.99 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23649731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).