1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid

C24H20FNO4S — CID 143065106

IUPAC1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid
SMILESCC1C(c2ccccc2)C1(NS(=O)(=O)c1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O
InChIInChI=1S/C24H20FNO4S/c1-14-22(15-5-3-2-4-6-15)24(14,23(27)28)26-31(29,30)19-8-10-21-17(13-19)11-16-12-18(25)7-9-20(16)21/h2-10,12-14,22,26H,11H2,1H3,(H,27,28)
InChIKeyMSYZLXJDSUEAQW-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.93
Rot. Bonds5

About 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid

1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid (PubChem CID 143065106) has the molecular formula C24H20FNO4S and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid
PubChem CID143065106
Molecular FormulaC24H20FNO4S
Molecular Weight437.49 g/mol
Exact Mass437.11
IUPAC Name1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid
SMILESCC1C(c2ccccc2)C1(NS(=O)(=O)c1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O
InChIInChI=1S/C24H20FNO4S/c1-14-22(15-5-3-2-4-6-15)24(14,23(27)28)26-31(29,30)19-8-10-21-17(13-19)11-16-12-18(25)7-9-20(16)21/h2-10,12-14,22,26H,11H2,1H3,(H,27,28)
InChIKeyMSYZLXJDSUEAQW-UHFFFAOYSA-N
XLogP3.93
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid (CID 143065106) is 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid is CC1C(c2ccccc2)C1(NS(=O)(=O)c1ccc2c(c1)Cc1cc(F)ccc1-2)C(=O)O.
What is the InChIKey of 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid?
The InChIKey is MSYZLXJDSUEAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4S/c1-14-22(15-5-3-2-4-6-15)24(14,23(27)28)26-31(29,30)19-8-10-21-17(13-19)11-16-12-18(25)7-9-20(16)21/h2-10,12-14,22,26H,11H2,1H3,(H,27,28).
What are the key properties of 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid?
1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid has a molecular weight of 437.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 143065106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).