3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide

C18H18ClF3N2O3S — CID 26583597

IUPAC3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C18H18ClF3N2O3S/c1-3-24(4-2)17(25)12-6-5-7-14(10-12)28(26,27)23-16-11-13(18(20,21)22)8-9-15(16)19/h5-11,23H,3-4H2,1-2H3
InChIKeyVYFDUZHDDRZWEC-UHFFFAOYSA-N
MW434.87 g/mol
LogP4.64
Rot. Bonds6

About 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide

3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide (PubChem CID 26583597) has the molecular formula C18H18ClF3N2O3S and a molecular weight of 434.87 g/mol. Its IUPAC name is 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
PubChem CID26583597
Molecular FormulaC18H18ClF3N2O3S
Molecular Weight434.87 g/mol
Exact Mass434.07
IUPAC Name3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C18H18ClF3N2O3S/c1-3-24(4-2)17(25)12-6-5-7-14(10-12)28(26,27)23-16-11-13(18(20,21)22)8-9-15(16)19/h5-11,23H,3-4H2,1-2H3
InChIKeyVYFDUZHDDRZWEC-UHFFFAOYSA-N
XLogP4.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169370448
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
CID 2325867
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4273748
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262415
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
(E)-3-[3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 155125581
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide (CID 26583597) is 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide?
The InChIKey is VYFDUZHDDRZWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O3S/c1-3-24(4-2)17(25)12-6-5-7-14(10-12)28(26,27)23-16-11-13(18(20,21)22)8-9-15(16)19/h5-11,23H,3-4H2,1-2H3.
What are the key properties of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide?
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide has a molecular weight of 434.87 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N,N-diethylbenzamide is sourced from PubChem (CID 26583597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).