3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide

C12H17FN2O3S — CID 29030779

IUPAC3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CCC(O)CC2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c13-11-6-5-10(7-12(11)14)19(17,18)15-8-1-3-9(16)4-2-8/h5-9,15-16H,1-4,14H2
InChIKeyHBTYAOULSQAWJB-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.99
Rot. Bonds3

About 3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide

3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 29030779) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
PubChem CID29030779
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CCC(O)CC2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c13-11-6-5-10(7-12(11)14)19(17,18)15-8-1-3-9(16)4-2-8/h5-9,15-16H,1-4,14H2
InChIKeyHBTYAOULSQAWJB-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 3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide (CID 29030779) is 3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NC2CCC(O)CC2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is HBTYAOULSQAWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-11-6-5-10(7-12(11)14)19(17,18)15-8-1-3-9(16)4-2-8/h5-9,15-16H,1-4,14H2.
What are the key properties of 3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
3-amino-4-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 3-amino-4-fluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 29030779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).