5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide

C12H16F2N2O3S — CID 28532455

IUPAC5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CCC(O)CC2)c(F)cc1F
InChIInChI=1S/C12H16F2N2O3S/c13-9-5-10(14)12(6-11(9)15)20(18,19)16-7-1-3-8(17)4-2-7/h5-8,16-17H,1-4,15H2
InChIKeyQDCYESLCVYJFEE-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.13
Rot. Bonds3

About 5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide

5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 28532455) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
PubChem CID28532455
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CCC(O)CC2)c(F)cc1F
InChIInChI=1S/C12H16F2N2O3S/c13-9-5-10(14)12(6-11(9)15)20(18,19)16-7-1-3-8(17)4-2-7/h5-8,16-17H,1-4,15H2
InChIKeyQDCYESLCVYJFEE-UHFFFAOYSA-N
XLogP1.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.13
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-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide (CID 28532455) is 5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NC2CCC(O)CC2)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is QDCYESLCVYJFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c13-9-5-10(14)12(6-11(9)15)20(18,19)16-7-1-3-8(17)4-2-7/h5-8,16-17H,1-4,15H2.
What are the key properties of 5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide?
5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 306.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(4-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 28532455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).