N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide

C22H26ClFN2O3S — CID 55594889

IUPACN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C22H26ClFN2O3S/c1-4-25(5-2)30(28,29)21-14-17(8-13-20(21)24)22(27)26(19-11-12-19)15(3)16-6-9-18(23)10-7-16/h6-10,13-15,19H,4-5,11-12H2,1-3H3
InChIKeyBYSCHGIFBRVSCV-UHFFFAOYSA-N
MW452.98 g/mol
LogP4.88
Rot. Bonds8

About N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide (PubChem CID 55594889) has the molecular formula C22H26ClFN2O3S and a molecular weight of 452.98 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide
PubChem CID55594889
Molecular FormulaC22H26ClFN2O3S
Molecular Weight452.98 g/mol
Exact Mass452.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C22H26ClFN2O3S/c1-4-25(5-2)30(28,29)21-14-17(8-13-20(21)24)22(27)26(19-11-12-19)15(3)16-6-9-18(23)10-7-16/h6-10,13-15,19H,4-5,11-12H2,1-3H3
InChIKeyBYSCHGIFBRVSCV-UHFFFAOYSA-N
XLogP4.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.98
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55670053
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530056
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 26010193
[2-(4-chloroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55316038
N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 55507710
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55390148
4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31818714
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55774395
3-[ethyl(2-methylbutyl)sulfamoyl]-4-fluorobenzoic acid
CID 79482166
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
[2-(dimethylamino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529926

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide (CID 55594889) is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)ccc1F.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide?
The InChIKey is BYSCHGIFBRVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O3S/c1-4-25(5-2)30(28,29)21-14-17(8-13-20(21)24)22(27)26(19-11-12-19)15(3)16-6-9-18(23)10-7-16/h6-10,13-15,19H,4-5,11-12H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide?
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide has a molecular weight of 452.98 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 55594889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).