5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide

C13H18ClFN2O2S — CID 43257355

IUPAC5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O2S/c1-17(10-5-3-2-4-6-10)20(18,19)12-8-9(16)7-11(14)13(12)15/h7-8,10H,2-6,16H2,1H3
InChIKeyVPAVWRRVCDNESZ-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.01
Rot. Bonds3

About 5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide

5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 43257355) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide
PubChem CID43257355
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O2S/c1-17(10-5-3-2-4-6-10)20(18,19)12-8-9(16)7-11(14)13(12)15/h7-8,10H,2-6,16H2,1H3
InChIKeyVPAVWRRVCDNESZ-UHFFFAOYSA-N
XLogP3.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
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 5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide (CID 43257355) is 5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is VPAVWRRVCDNESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-17(10-5-3-2-4-6-10)20(18,19)12-8-9(16)7-11(14)13(12)15/h7-8,10H,2-6,16H2,1H3.
What are the key properties of 5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide?
5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-cyclohexyl-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 43257355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).