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

C23H18FNO4S — CID 59692799

IUPAC1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc3c(c2)Cc2cc(F)ccc2-3)CC1c1ccccc1
InChIInChI=1S/C23H18FNO4S/c24-17-6-8-19-15(11-17)10-16-12-18(7-9-20(16)19)30(28,29)25-23(22(26)27)13-21(23)14-4-2-1-3-5-14/h1-9,11-12,21,25H,10,13H2,(H,26,27)
InChIKeyGWSHMBACNVHYEJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.69
Rot. Bonds5

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

1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 59692799) has the molecular formula C23H18FNO4S and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID59692799
Molecular FormulaC23H18FNO4S
Molecular Weight423.47 g/mol
Exact Mass423.09
IUPAC Name1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc3c(c2)Cc2cc(F)ccc2-3)CC1c1ccccc1
InChIInChI=1S/C23H18FNO4S/c24-17-6-8-19-15(11-17)10-16-12-18(7-9-20(16)19)30(28,29)25-23(22(26)27)13-21(23)14-4-2-1-3-5-14/h1-9,11-12,21,25H,10,13H2,(H,26,27)
InChIKeyGWSHMBACNVHYEJ-UHFFFAOYSA-N
XLogP3.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(4-Fluorophenyl)phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
CID 18365428
2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 59692279
cis-(1S,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 59692938
cis-(1R,2R)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 59693014
cis-(1R,2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 67524344
trans-(1S,2R)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 67524585
trans-(1R,2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 67524748
(2S)-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 69462244
(2S)-2-ethyl-1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 69464425
3-ethyl-2-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-3-phenylpentanoic acid
CID 70334451
1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 143065106
1-[(4-Fluorophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 84563175

Frequently Asked Questions

What is the IUPAC name of 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 59692799) is 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc3c(c2)Cc2cc(F)ccc2-3)CC1c1ccccc1.
What is the InChIKey of 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is GWSHMBACNVHYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4S/c24-17-6-8-19-15(11-17)10-16-12-18(7-9-20(16)19)30(28,29)25-23(22(26)27)13-21(23)14-4-2-1-3-5-14/h1-9,11-12,21,25H,10,13H2,(H,26,27).
What are the key properties of 1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 423.47 g/mol, XLogP of 3.69, 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-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 59692799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).