4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide

C10H10Br2FNO2S — CID 116530079

IUPAC4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1(CBr)CC1)c1ccc(Br)cc1F
InChIInChI=1S/C10H10Br2FNO2S/c11-6-10(3-4-10)14-17(15,16)9-2-1-7(12)5-8(9)13/h1-2,5,14H,3-4,6H2
InChIKeyZXMIMGUCXBYJSM-UHFFFAOYSA-N
MW387.07 g/mol
LogP2.79
Rot. Bonds4

About 4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide

4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide (PubChem CID 116530079) has the molecular formula C10H10Br2FNO2S and a molecular weight of 387.07 g/mol. Its IUPAC name is 4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide
PubChem CID116530079
Molecular FormulaC10H10Br2FNO2S
Molecular Weight387.07 g/mol
Exact Mass384.88
IUPAC Name4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1(CBr)CC1)c1ccc(Br)cc1F
InChIInChI=1S/C10H10Br2FNO2S/c11-6-10(3-4-10)14-17(15,16)9-2-1-7(12)5-8(9)13/h1-2,5,14H,3-4,6H2
InChIKeyZXMIMGUCXBYJSM-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide (CID 116530079) is 4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide is O=S(=O)(NC1(CBr)CC1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide?
The InChIKey is ZXMIMGUCXBYJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2FNO2S/c11-6-10(3-4-10)14-17(15,16)9-2-1-7(12)5-8(9)13/h1-2,5,14H,3-4,6H2.
What are the key properties of 4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide?
4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide has a molecular weight of 387.07 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(bromomethyl)cyclopropyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116530079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).