3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide

C18H18ClF3N2O4S — CID 55457674

IUPAC3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCC(O)c1ccccc1
InChIInChI=1S/C18H18ClF3N2O4S/c19-15-7-6-13(10-14(15)18(20,21)22)29(27,28)24-9-8-17(26)23-11-16(25)12-4-2-1-3-5-12/h1-7,10,16,24-25H,8-9,11H2,(H,23,26)
InChIKeySKLHDGMTYMWVAF-UHFFFAOYSA-N
MW450.87 g/mol
LogP2.88
Rot. Bonds8

About 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide (PubChem CID 55457674) has the molecular formula C18H18ClF3N2O4S and a molecular weight of 450.87 g/mol. Its IUPAC name is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide
PubChem CID55457674
Molecular FormulaC18H18ClF3N2O4S
Molecular Weight450.87 g/mol
Exact Mass450.06
IUPAC Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCC(O)c1ccccc1
InChIInChI=1S/C18H18ClF3N2O4S/c19-15-7-6-13(10-14(15)18(20,21)22)29(27,28)24-9-8-17(26)23-11-16(25)12-4-2-1-3-5-12/h1-7,10,16,24-25H,8-9,11H2,(H,23,26)
InChIKeySKLHDGMTYMWVAF-UHFFFAOYSA-N
XLogP2.88
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.87
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806518
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(N-methylanilino)ethyl]propanamide
CID 55447360
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 55331582
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 112842777
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 24639635
4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 27661736
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide
CID 4843823
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38533028
4-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2468122
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800761

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide?
The IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide (CID 55457674) is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide.
What is the SMILES notation for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide?
The canonical SMILES for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCC(O)c1ccccc1.
What is the InChIKey of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide?
The InChIKey is SKLHDGMTYMWVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O4S/c19-15-7-6-13(10-14(15)18(20,21)22)29(27,28)24-9-8-17(26)23-11-16(25)12-4-2-1-3-5-12/h1-7,10,16,24-25H,8-9,11H2,(H,23,26).
What are the key properties of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide?
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide has a molecular weight of 450.87 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide is sourced from PubChem (CID 55457674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).