2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide

C9H10BrFN2O2S — CID 67530522

IUPAC2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)cc(F)cc1NC1CC1
InChIInChI=1S/C9H10BrFN2O2S/c10-7-3-5(11)4-8(13-6-1-2-6)9(7)16(12,14)15/h3-4,6,13H,1-2H2,(H2,12,14,15)
InChIKeyIEOMFDJRWCKWBL-UHFFFAOYSA-N
MW309.16 g/mol
LogP1.81
Rot. Bonds3

About 2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide

2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide (PubChem CID 67530522) has the molecular formula C9H10BrFN2O2S and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide
PubChem CID67530522
Molecular FormulaC9H10BrFN2O2S
Molecular Weight309.16 g/mol
Exact Mass307.96
IUPAC Name2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)cc(F)cc1NC1CC1
InChIInChI=1S/C9H10BrFN2O2S/c10-7-3-5(11)4-8(13-6-1-2-6)9(7)16(12,14)15/h3-4,6,13H,1-2H2,(H2,12,14,15)
InChIKeyIEOMFDJRWCKWBL-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide (CID 67530522) is 2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide is NS(=O)(=O)c1c(Br)cc(F)cc1NC1CC1.
What is the InChIKey of 2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide?
The InChIKey is IEOMFDJRWCKWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O2S/c10-7-3-5(11)4-8(13-6-1-2-6)9(7)16(12,14)15/h3-4,6,13H,1-2H2,(H2,12,14,15).
What are the key properties of 2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide?
2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide has a molecular weight of 309.16 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(cyclopropylamino)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 67530522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).