2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid

C13H17FN2O4S — CID 64817832

IUPAC2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC2CCCCC2C(=O)O)c(F)c1
InChIInChI=1S/C13H17FN2O4S/c14-10-7-8(21(15,19)20)5-6-12(10)16-11-4-2-1-3-9(11)13(17)18/h5-7,9,11,16H,1-4H2,(H,17,18)(H2,15,19,20)
InChIKeyMWOJSOYTYMJAEF-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.53
Rot. Bonds4

About 2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid

2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid (PubChem CID 64817832) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid
PubChem CID64817832
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(NC2CCCCC2C(=O)O)c(F)c1
InChIInChI=1S/C13H17FN2O4S/c14-10-7-8(21(15,19)20)5-6-12(10)16-11-4-2-1-3-9(11)13(17)18/h5-7,9,11,16H,1-4H2,(H,17,18)(H2,15,19,20)
InChIKeyMWOJSOYTYMJAEF-UHFFFAOYSA-N
XLogP1.53
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid (CID 64817832) is 2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid is NS(=O)(=O)c1ccc(NC2CCCCC2C(=O)O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid?
The InChIKey is MWOJSOYTYMJAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c14-10-7-8(21(15,19)20)5-6-12(10)16-11-4-2-1-3-9(11)13(17)18/h5-7,9,11,16H,1-4H2,(H,17,18)(H2,15,19,20).
What are the key properties of 2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid?
2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid has a molecular weight of 316.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-sulfamoylanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).