4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H19FN2O3S — CID 64928800

IUPAC4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CCCCC2O)c(F)c1
InChIInChI=1S/C13H19FN2O3S/c14-11-7-10(15)5-6-13(11)20(18,19)16-8-9-3-1-2-4-12(9)17/h5-7,9,12,16-17H,1-4,8,15H2
InChIKeyANYINUPWAPRRDL-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.24
Rot. Bonds4

About 4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide

4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 64928800) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID64928800
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CCCCC2O)c(F)c1
InChIInChI=1S/C13H19FN2O3S/c14-11-7-10(15)5-6-13(11)20(18,19)16-8-9-3-1-2-4-12(9)17/h5-7,9,12,16-17H,1-4,8,15H2
InChIKeyANYINUPWAPRRDL-UHFFFAOYSA-N
XLogP1.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.24
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 4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 64928800) is 4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCC2CCCCC2O)c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is ANYINUPWAPRRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c14-11-7-10(15)5-6-13(11)20(18,19)16-8-9-3-1-2-4-12(9)17/h5-7,9,12,16-17H,1-4,8,15H2.
What are the key properties of 4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 64928800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).