3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide

C23H22ClFN2O3S — CID 3526066

IUPAC3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C23H22ClFN2O3S/c1-15(2)16-7-10-19(11-8-16)27-23(28)17-9-12-21(25)22(13-17)31(29,30)26-14-18-5-3-4-6-20(18)24/h3-13,15,26H,14H2,1-2H3,(H,27,28)
InChIKeyNSKONUVPWQZVLB-UHFFFAOYSA-N
MW460.96 g/mol
LogP5.33
Rot. Bonds7

About 3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide

3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 3526066) has the molecular formula C23H22ClFN2O3S and a molecular weight of 460.96 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
PubChem CID3526066
Molecular FormulaC23H22ClFN2O3S
Molecular Weight460.96 g/mol
Exact Mass460.10
IUPAC Name3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C23H22ClFN2O3S/c1-15(2)16-7-10-19(11-8-16)27-23(28)17-9-12-21(25)22(13-17)31(29,30)26-14-18-5-3-4-6-20(18)24/h3-13,15,26H,14H2,1-2H3,(H,27,28)
InChIKeyNSKONUVPWQZVLB-UHFFFAOYSA-N
XLogP5.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.96
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-[(2-chlorophenyl)methylsulfamoyl]-4-fluorobenzamide
CID 3689795
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
4-fluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 4055666
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042
4-chloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18892590
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide
CID 3407821
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 24635072

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide (CID 3526066) is 3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NCc3ccccc3Cl)c2)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is NSKONUVPWQZVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O3S/c1-15(2)16-7-10-19(11-8-16)27-23(28)17-9-12-21(25)22(13-17)31(29,30)26-14-18-5-3-4-6-20(18)24/h3-13,15,26H,14H2,1-2H3,(H,27,28).
What are the key properties of 3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 460.96 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 3526066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).