N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide

C17H17F3N2O5S — CID 49089748

IUPACN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCC(O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3N2O5S/c1-28(25,26)22-13-4-2-3-12(9-13)16(24)21-10-15(23)11-5-7-14(8-6-11)27-17(18,19)20/h2-9,15,22-23H,10H2,1H3,(H,21,24)
InChIKeyALOYTIFPGPOATR-UHFFFAOYSA-N
MW418.39 g/mol
LogP2.42
Rot. Bonds7

About N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide

N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide (PubChem CID 49089748) has the molecular formula C17H17F3N2O5S and a molecular weight of 418.39 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide
PubChem CID49089748
Molecular FormulaC17H17F3N2O5S
Molecular Weight418.39 g/mol
Exact Mass418.08
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCC(O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3N2O5S/c1-28(25,26)22-13-4-2-3-12(9-13)16(24)21-10-15(23)11-5-7-14(8-6-11)27-17(18,19)20/h2-9,15,22-23H,10H2,1H3,(H,21,24)
InChIKeyALOYTIFPGPOATR-UHFFFAOYSA-N
XLogP2.42
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide
CID 78868922
3-(ethylsulfonylamino)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24672381
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 49089783
3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 35994079
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 55655576
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78897097
3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 17403034
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
CID 111424679
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 99853223

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide (CID 49089748) is N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCC(O)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide?
The InChIKey is ALOYTIFPGPOATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O5S/c1-28(25,26)22-13-4-2-3-12(9-13)16(24)21-10-15(23)11-5-7-14(8-6-11)27-17(18,19)20/h2-9,15,22-23H,10H2,1H3,(H,21,24).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide?
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide has a molecular weight of 418.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 49089748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).