3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide

C12H16ClFN2O2S — CID 103050147

IUPAC3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CCCCC2)c1F
InChIInChI=1S/C12H16ClFN2O2S/c13-8-6-10(15)12(14)11(7-8)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5,15H2
InChIKeyCELUNRHDARDMNR-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.67
Rot. Bonds3

About 3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide

3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide (PubChem CID 103050147) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
PubChem CID103050147
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CCCCC2)c1F
InChIInChI=1S/C12H16ClFN2O2S/c13-8-6-10(15)12(14)11(7-8)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5,15H2
InChIKeyCELUNRHDARDMNR-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide (CID 103050147) is 3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NC2CCCCC2)c1F.
What is the InChIKey of 3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
The InChIKey is CELUNRHDARDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c13-8-6-10(15)12(14)11(7-8)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5,15H2.
What are the key properties of 3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide?
3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide has a molecular weight of 306.79 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-cyclohexyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103050147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).