2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid

C21H16F3NO5S2 — CID 11363703

IUPAC2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CC1c1ccccc1
InChIInChI=1S/C21H16F3NO5S2/c22-21(23,24)30-15-8-6-14(7-9-15)17-10-11-18(31-17)32(28,29)25-20(19(26)27)12-16(20)13-4-2-1-3-5-13/h1-11,16,25H,12H2,(H,26,27)
InChIKeyRNLXWPBSWIEOEF-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.60
Rot. Bonds7

About 2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid

2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid (PubChem CID 11363703) has the molecular formula C21H16F3NO5S2 and a molecular weight of 483.49 g/mol. Its IUPAC name is 2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
PubChem CID11363703
Molecular FormulaC21H16F3NO5S2
Molecular Weight483.49 g/mol
Exact Mass483.04
IUPAC Name2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CC1c1ccccc1
InChIInChI=1S/C21H16F3NO5S2/c22-21(23,24)30-15-8-6-14(7-9-15)17-10-11-18(31-17)32(28,29)25-20(19(26)27)12-16(20)13-4-2-1-3-5-13/h1-11,16,25H,12H2,(H,26,27)
InChIKeyRNLXWPBSWIEOEF-UHFFFAOYSA-N
XLogP4.60
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid (CID 11363703) is 2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)CC1c1ccccc1.
What is the InChIKey of 2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid?
The InChIKey is RNLXWPBSWIEOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO5S2/c22-21(23,24)30-15-8-6-14(7-9-15)17-10-11-18(31-17)32(28,29)25-20(19(26)27)12-16(20)13-4-2-1-3-5-13/h1-11,16,25H,12H2,(H,26,27).
What are the key properties of 2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid?
2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid has a molecular weight of 483.49 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 11363703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).