5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide

C12H17FN2O3S — CID 43255394

IUPAC5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C12H17FN2O3S/c13-11-6-1-8(14)7-12(11)19(17,18)15-9-2-4-10(16)5-3-9/h1,6-7,9-10,15-16H,2-5,14H2
InChIKeySLERKJHBOCRART-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.99
Rot. Bonds3

About 5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide

5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 43255394) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
PubChem CID43255394
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C12H17FN2O3S/c13-11-6-1-8(14)7-12(11)19(17,18)15-9-2-4-10(16)5-3-9/h1,6-7,9-10,15-16H,2-5,14H2
InChIKeySLERKJHBOCRART-UHFFFAOYSA-N
XLogP0.99
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide (CID 43255394) is 5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide is Nc1ccc(F)c(S(=O)(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of 5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is SLERKJHBOCRART-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-11-6-1-8(14)7-12(11)19(17,18)15-9-2-4-10(16)5-3-9/h1,6-7,9-10,15-16H,2-5,14H2.
What are the key properties of 5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43255394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).