4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C22H24ClF3N2O3S — CID 31818714

IUPAC4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)ccc1Cl
InChIInChI=1S/C22H24ClF3N2O3S/c1-3-27(4-2)32(30,31)20-13-16(7-12-19(20)23)21(29)28(18-10-11-18)14-15-5-8-17(9-6-15)22(24,25)26/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3
InChIKeyUGCSNERAMQJKJJ-UHFFFAOYSA-N
MW488.96 g/mol
LogP5.19
Rot. Bonds8

About 4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 31818714) has the molecular formula C22H24ClF3N2O3S and a molecular weight of 488.96 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID31818714
Molecular FormulaC22H24ClF3N2O3S
Molecular Weight488.96 g/mol
Exact Mass488.11
IUPAC Name4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)ccc1Cl
InChIInChI=1S/C22H24ClF3N2O3S/c1-3-27(4-2)32(30,31)20-13-16(7-12-19(20)23)21(29)28(18-10-11-18)14-15-5-8-17(9-6-15)22(24,25)26/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3
InChIKeyUGCSNERAMQJKJJ-UHFFFAOYSA-N
XLogP5.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.96
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-methyl-3-morpholin-4-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 37483746
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65372790
4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 24679147
4-chloro-3-(dimethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052704
4-chloro-3-(diethylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24584146
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 3528675
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetate
CID 78902028
4-chloro-N-cyclopropyl-3-iodo-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 39881157
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55594889
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 38371299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 31818714) is 4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is UGCSNERAMQJKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N2O3S/c1-3-27(4-2)32(30,31)20-13-16(7-12-19(20)23)21(29)28(18-10-11-18)14-15-5-8-17(9-6-15)22(24,25)26/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3.
What are the key properties of 4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 488.96 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-3-(diethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 31818714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).