2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid

C12H15FN2O4S — CID 64670271

IUPAC2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1F)(C(=O)O)C1CC1
InChIInChI=1S/C12H15FN2O4S/c1-12(11(16)17,7-2-3-7)15-10-5-4-8(6-9(10)13)20(14,18)19/h4-7,15H,2-3H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyKMOMPLCFZUKEGO-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.14
Rot. Bonds5

About 2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid

2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid (PubChem CID 64670271) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid
PubChem CID64670271
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1F)(C(=O)O)C1CC1
InChIInChI=1S/C12H15FN2O4S/c1-12(11(16)17,7-2-3-7)15-10-5-4-8(6-9(10)13)20(14,18)19/h4-7,15H,2-3H2,1H3,(H,16,17)(H2,14,18,19)
InChIKeyKMOMPLCFZUKEGO-UHFFFAOYSA-N
XLogP1.14
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid (CID 64670271) is 2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid is CC(Nc1ccc(S(N)(=O)=O)cc1F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid?
The InChIKey is KMOMPLCFZUKEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-12(11(16)17,7-2-3-7)15-10-5-4-8(6-9(10)13)20(14,18)19/h4-7,15H,2-3H2,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of 2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid?
2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid is sourced from PubChem (CID 64670271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).