4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide

C23H22ClFN2O4S — CID 24575226

IUPAC4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H22ClFN2O4S/c1-3-31-19-9-4-16(5-10-19)15(2)26-23(28)17-6-13-21(24)22(14-17)27-32(29,30)20-11-7-18(25)8-12-20/h4-15,27H,3H2,1-2H3,(H,26,28)
InChIKeyIWIHZFRJWSIQFN-UHFFFAOYSA-N
MW476.96 g/mol
LogP5.17
Rot. Bonds8

About 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide

4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 24575226) has the molecular formula C23H22ClFN2O4S and a molecular weight of 476.96 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID24575226
Molecular FormulaC23H22ClFN2O4S
Molecular Weight476.96 g/mol
Exact Mass476.10
IUPAC Name4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H22ClFN2O4S/c1-3-31-19-9-4-16(5-10-19)15(2)26-23(28)17-6-13-21(24)22(14-17)27-32(29,30)20-11-7-18(25)8-12-20/h4-15,27H,3H2,1-2H3,(H,26,28)
InChIKeyIWIHZFRJWSIQFN-UHFFFAOYSA-N
XLogP5.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.96
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27773510
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 43907189
4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
CID 28571796
3-chloro-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 38015785
4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 30390620
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
2-[2-chloro-4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402291
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92674095

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide (CID 24575226) is 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide is CCOc1ccc(C(C)NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is IWIHZFRJWSIQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O4S/c1-3-31-19-9-4-16(5-10-19)15(2)26-23(28)17-6-13-21(24)22(14-17)27-32(29,30)20-11-7-18(25)8-12-20/h4-15,27H,3H2,1-2H3,(H,26,28).
What are the key properties of 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 476.96 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24575226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).