(3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid

C17H16F3NO5S — CID 170430308

IUPAC(3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
SMILESO=C(O)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO5S/c18-17(19,20)26-14-6-8-15(9-7-14)27(24,25)21-13(11-16(22)23)10-12-4-2-1-3-5-12/h1-9,13,21H,10-11H2,(H,22,23)/t13-/m1/s1
InChIKeyRNAPYIAPJKKKQX-CYBMUJFWSA-N
MW403.38 g/mol
LogP2.95
Rot. Bonds8

About (3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid

(3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid (PubChem CID 170430308) has the molecular formula C17H16F3NO5S and a molecular weight of 403.38 g/mol. Its IUPAC name is (3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
PubChem CID170430308
Molecular FormulaC17H16F3NO5S
Molecular Weight403.38 g/mol
Exact Mass403.07
IUPAC Name(3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
SMILESO=C(O)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO5S/c18-17(19,20)26-14-6-8-15(9-7-14)27(24,25)21-13(11-16(22)23)10-12-4-2-1-3-5-12/h1-9,13,21H,10-11H2,(H,22,23)/t13-/m1/s1
InChIKeyRNAPYIAPJKKKQX-CYBMUJFWSA-N
XLogP2.95
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]-4-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid
CID 162418962
N-[(2R)-1-(3-bromophenyl)-4,4,4-trifluorobutan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862440
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
3-(3,5-dichlorophenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 170430464
[(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid
CID 170430265
[(1R,2R)-1-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propyl]carbamic acid
CID 170430758
[(1S,2S)-1-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propyl]carbamic acid
CID 170430637
tert-butyl N-[(1R,2S)-1-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propyl]carbamate
CID 164861933
diethyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanedioate
CID 3716840
[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropyl] (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 156698270
N-[cyano(phenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3869627
N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78768135

Frequently Asked Questions

What is the IUPAC name of (3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid?
The IUPAC name of (3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid (CID 170430308) is (3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid.
What is the SMILES notation for (3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid?
The canonical SMILES for (3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid is O=C(O)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid?
The InChIKey is RNAPYIAPJKKKQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16F3NO5S/c18-17(19,20)26-14-6-8-15(9-7-14)27(24,25)21-13(11-16(22)23)10-12-4-2-1-3-5-12/h1-9,13,21H,10-11H2,(H,22,23)/t13-/m1/s1.
What are the key properties of (3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid?
(3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid has a molecular weight of 403.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-phenyl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid is sourced from PubChem (CID 170430308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).