N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide

C26H28ClNO4S — CID 110077573

IUPACN-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide
SMILESCCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)c(CC(C)C)c1
InChIInChI=1S/C26H28ClNO4S/c1-5-32-24-11-7-6-9-21(24)19-13-14-22(20(16-19)15-17(2)3)26(29)28-33(30,31)25-12-8-10-23(27)18(25)4/h6-14,16-17H,5,15H2,1-4H3,(H,28,29)
InChIKeyCHGSSHNGDOWIDJ-UHFFFAOYSA-N
MW486.03 g/mol
LogP6.03
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide

N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide (PubChem CID 110077573) has the molecular formula C26H28ClNO4S and a molecular weight of 486.03 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide
PubChem CID110077573
Molecular FormulaC26H28ClNO4S
Molecular Weight486.03 g/mol
Exact Mass485.14
IUPAC NameN-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide
SMILESCCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)c(CC(C)C)c1
InChIInChI=1S/C26H28ClNO4S/c1-5-32-24-11-7-6-9-21(24)19-13-14-22(20(16-19)15-17(2)3)26(29)28-33(30,31)25-12-8-10-23(27)18(25)4/h6-14,16-17H,5,15H2,1-4H3,(H,28,29)
InChIKeyCHGSSHNGDOWIDJ-UHFFFAOYSA-N
XLogP6.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.03
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide (CID 110077573) is N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide is CCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)c(CC(C)C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide?
The InChIKey is CHGSSHNGDOWIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNO4S/c1-5-32-24-11-7-6-9-21(24)19-13-14-22(20(16-19)15-17(2)3)26(29)28-33(30,31)25-12-8-10-23(27)18(25)4/h6-14,16-17H,5,15H2,1-4H3,(H,28,29).
What are the key properties of N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide?
N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide has a molecular weight of 486.03 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide is sourced from PubChem (CID 110077573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).