5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide

C12H18ClFN2O2S — CID 61108374

IUPAC5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C12H18ClFN2O2S/c1-2-3-4-5-6-16-19(17,18)12-8-11(15)10(14)7-9(12)13/h7-8,16H,2-6,15H2,1H3
InChIKeyLLEUNMPSAMSCJA-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.92
Rot. Bonds7

About 5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide

5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide (PubChem CID 61108374) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide
PubChem CID61108374
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC Name5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C12H18ClFN2O2S/c1-2-3-4-5-6-16-19(17,18)12-8-11(15)10(14)7-9(12)13/h7-8,16H,2-6,15H2,1H3
InChIKeyLLEUNMPSAMSCJA-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide (CID 61108374) is 5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide is CCCCCCNS(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide?
The InChIKey is LLEUNMPSAMSCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O2S/c1-2-3-4-5-6-16-19(17,18)12-8-11(15)10(14)7-9(12)13/h7-8,16H,2-6,15H2,1H3.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide has a molecular weight of 308.81 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-hexylbenzenesulfonamide is sourced from PubChem (CID 61108374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).