N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide

C17H17F3N2O4S — CID 60539441

IUPACN-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide
SMILESCCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-2-21-16(23)13-9-7-12(8-10-13)11-22-27(24,25)15-6-4-3-5-14(15)26-17(18,19)20/h3-10,22H,2,11H2,1H3,(H,21,23)
InChIKeyKNCWBKKVZGOALF-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.81
Rot. Bonds7

About N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide

N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide (PubChem CID 60539441) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide
PubChem CID60539441
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide
SMILESCCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-2-21-16(23)13-9-7-12(8-10-13)11-22-27(24,25)15-6-4-3-5-14(15)26-17(18,19)20/h3-10,22H,2,11H2,1H3,(H,21,23)
InChIKeyKNCWBKKVZGOALF-UHFFFAOYSA-N
XLogP2.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
CID 31816943
4-fluoro-N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521819
N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 47062308
N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 9165579
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide
CID 55905079
4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 55906367
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 120723919
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide
CID 51125449
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-butyl-4-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]benzamide
CID 112829565
N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide?
The IUPAC name of N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide (CID 60539441) is N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide?
The canonical SMILES for N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide is CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide?
The InChIKey is KNCWBKKVZGOALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-2-21-16(23)13-9-7-12(8-10-13)11-22-27(24,25)15-6-4-3-5-14(15)26-17(18,19)20/h3-10,22H,2,11H2,1H3,(H,21,23).
What are the key properties of N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide?
N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide has a molecular weight of 402.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide is sourced from PubChem (CID 60539441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).