N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide

C19H21F3N2O3S — CID 7688995

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1C
InChIInChI=1S/C19H21F3N2O3S/c1-4-24(5-2)28(26,27)17-12-16(11-6-13(17)3)23-18(25)14-7-9-15(10-8-14)19(20,21)22/h6-12H,4-5H2,1-3H3,(H,23,25)
InChIKeyWLAQTTJFPHFPOB-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.30
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide (PubChem CID 7688995) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
PubChem CID7688995
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1C
InChIInChI=1S/C19H21F3N2O3S/c1-4-24(5-2)28(26,27)17-12-16(11-6-13(17)3)23-18(25)14-7-9-15(10-8-14)19(20,21)22/h6-12H,4-5H2,1-3H3,(H,23,25)
InChIKeyWLAQTTJFPHFPOB-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
CID 26521263
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 26759503
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide
CID 9101706

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide (CID 7688995) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is WLAQTTJFPHFPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-4-24(5-2)28(26,27)17-12-16(11-6-13(17)3)23-18(25)14-7-9-15(10-8-14)19(20,21)22/h6-12H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 414.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 7688995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).