3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

C23H23ClN2O4S — CID 46770016

IUPAC3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-3-8-19(9-4-16)30-14-13-25-23(27)18-7-12-22(21(24)15-18)26-31(28,29)20-10-5-17(2)6-11-20/h3-12,15,26H,13-14H2,1-2H3,(H,25,27)
InChIKeyXGBPIKIJGCNCAB-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.57
Rot. Bonds8

About 3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 46770016) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID46770016
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-16-3-8-19(9-4-16)30-14-13-25-23(27)18-7-12-22(21(24)15-18)26-31(28,29)20-10-5-17(2)6-11-20/h3-12,15,26H,13-14H2,1-2H3,(H,25,27)
InChIKeyXGBPIKIJGCNCAB-UHFFFAOYSA-N
XLogP4.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
3-chloro-N-(3-methylbutyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28632726
3-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909558
3-chloro-N-[3-(3-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909714
N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24504263
3-chloro-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43908652
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
CID 19062794
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366131
3-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 38002730
3-chloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681539
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 46770016) is 3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(OCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XGBPIKIJGCNCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-16-3-8-19(9-4-16)30-14-13-25-23(27)18-7-12-22(21(24)15-18)26-31(28,29)20-10-5-17(2)6-11-20/h3-12,15,26H,13-14H2,1-2H3,(H,25,27).
What are the key properties of 3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 458.97 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46770016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).