4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide

C15H21FN2O2S — CID 60712895

IUPAC4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1F)C1CC2CCC1C2
InChIInChI=1S/C15H21FN2O2S/c1-9(13-7-10-2-3-11(13)6-10)18-15-5-4-12(8-14(15)16)21(17,19)20/h4-5,8-11,13,18H,2-3,6-7H2,1H3,(H2,17,19,20)
InChIKeyCSINVWDPHRDWBB-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.71
Rot. Bonds4

About 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide

4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide (PubChem CID 60712895) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide
PubChem CID60712895
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1F)C1CC2CCC1C2
InChIInChI=1S/C15H21FN2O2S/c1-9(13-7-10-2-3-11(13)6-10)18-15-5-4-12(8-14(15)16)21(17,19)20/h4-5,8-11,13,18H,2-3,6-7H2,1H3,(H2,17,19,20)
InChIKeyCSINVWDPHRDWBB-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide (CID 60712895) is 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide is CC(Nc1ccc(S(N)(=O)=O)cc1F)C1CC2CCC1C2.
What is the InChIKey of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide?
The InChIKey is CSINVWDPHRDWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-9(13-7-10-2-3-11(13)6-10)18-15-5-4-12(8-14(15)16)21(17,19)20/h4-5,8-11,13,18H,2-3,6-7H2,1H3,(H2,17,19,20).
What are the key properties of 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide?
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide has a molecular weight of 312.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 60712895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).