N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C18H18ClF3N2O3S — CID 33314975

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18ClF3N2O3S/c1-11(2)24(3)28(26,27)14-7-4-12(5-8-14)17(25)23-13-6-9-16(19)15(10-13)18(20,21)22/h4-11H,1-3H3,(H,23,25)
InChIKeyHGLKKGAAJKJSEZ-UHFFFAOYSA-N
MW434.87 g/mol
LogP4.64
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 33314975) has the molecular formula C18H18ClF3N2O3S and a molecular weight of 434.87 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID33314975
Molecular FormulaC18H18ClF3N2O3S
Molecular Weight434.87 g/mol
Exact Mass434.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18ClF3N2O3S/c1-11(2)24(3)28(26,27)14-7-4-12(5-8-14)17(25)23-13-6-9-16(19)15(10-13)18(20,21)22/h4-11H,1-3H3,(H,23,25)
InChIKeyHGLKKGAAJKJSEZ-UHFFFAOYSA-N
XLogP4.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993166
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888
N-(1,3-dioxoisoindol-5-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993145
N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55551658
N-(2-chlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363696
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55710749

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 33314975) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is HGLKKGAAJKJSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O3S/c1-11(2)24(3)28(26,27)14-7-4-12(5-8-14)17(25)23-13-6-9-16(19)15(10-13)18(20,21)22/h4-11H,1-3H3,(H,23,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 434.87 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 33314975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).