[(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid

C16H15F3N2O5S — CID 170430265

IUPAC[(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid
SMILESO=C(O)NC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F3N2O5S/c17-16(18,19)26-12-6-8-13(9-7-12)27(24,25)21-14(10-20-15(22)23)11-4-2-1-3-5-11/h1-9,14,20-21H,10H2,(H,22,23)/t14-/m1/s1
InChIKeyOMIVHQODIVOCCZ-CQSZACIVSA-N
MW404.37 g/mol
LogP2.87
Rot. Bonds7

About [(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid

[(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid (PubChem CID 170430265) has the molecular formula C16H15F3N2O5S and a molecular weight of 404.37 g/mol. Its IUPAC name is [(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid
PubChem CID170430265
Molecular FormulaC16H15F3N2O5S
Molecular Weight404.37 g/mol
Exact Mass404.07
IUPAC Name[(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid
SMILESO=C(O)NC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F3N2O5S/c17-16(18,19)26-12-6-8-13(9-7-12)27(24,25)21-14(10-20-15(22)23)11-4-2-1-3-5-11/h1-9,14,20-21H,10H2,(H,22,23)/t14-/m1/s1
InChIKeyOMIVHQODIVOCCZ-CQSZACIVSA-N
XLogP2.87
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-3-sulfonamide
CID 170430990
[(1S,2S)-1-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propyl]carbamic acid
CID 170430637
[(1R,2R)-1-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propyl]carbamic acid
CID 170430758
ethyl 3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164862354
ethyl (3S)-3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164861943
N-[cyano(phenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3869627
3-(3,5-dichlorophenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 170430464
(3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 170430308
ethyl (3S)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-3-[3-(trifluoromethyl)phenyl]propanoate
CID 164861953
diethyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanedioate
CID 3716840
ethyl 3-(2-ethoxyphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 174236136
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid?
The IUPAC name of [(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid (CID 170430265) is [(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid.
What is the SMILES notation for [(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid?
The canonical SMILES for [(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid is O=C(O)NC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of [(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid?
The InChIKey is OMIVHQODIVOCCZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15F3N2O5S/c17-16(18,19)26-12-6-8-13(9-7-12)27(24,25)21-14(10-20-15(22)23)11-4-2-1-3-5-11/h1-9,14,20-21H,10H2,(H,22,23)/t14-/m1/s1.
What are the key properties of [(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid?
[(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid has a molecular weight of 404.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid is sourced from PubChem (CID 170430265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).