2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide

C12H15BrFNO2S — CID 47257513

IUPAC2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO2S/c13-11-7-10(14)5-6-12(11)18(16,17)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2
InChIKeyYVURTGXAQBYWCE-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.06
Rot. Bonds4

About 2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide

2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide (PubChem CID 47257513) has the molecular formula C12H15BrFNO2S and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide
PubChem CID47257513
Molecular FormulaC12H15BrFNO2S
Molecular Weight336.23 g/mol
Exact Mass335.00
IUPAC Name2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO2S/c13-11-7-10(14)5-6-12(11)18(16,17)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2
InChIKeyYVURTGXAQBYWCE-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide (CID 47257513) is 2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide is O=S(=O)(NCC1CCCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide?
The InChIKey is YVURTGXAQBYWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2S/c13-11-7-10(14)5-6-12(11)18(16,17)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2.
What are the key properties of 2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide?
2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide has a molecular weight of 336.23 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopentylmethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 47257513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).