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

C11H13BrFNO2S — CID 47257510

IUPAC2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCC1)c1ccc(F)cc1Br
InChIInChI=1S/C11H13BrFNO2S/c12-10-6-9(13)4-5-11(10)17(15,16)14-7-8-2-1-3-8/h4-6,8,14H,1-3,7H2
InChIKeyYGHRWCPFNSIAHO-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.67
Rot. Bonds4

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

2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide (PubChem CID 47257510) has the molecular formula C11H13BrFNO2S and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide
PubChem CID47257510
Molecular FormulaC11H13BrFNO2S
Molecular Weight322.20 g/mol
Exact Mass320.98
IUPAC Name2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCC1)c1ccc(F)cc1Br
InChIInChI=1S/C11H13BrFNO2S/c12-10-6-9(13)4-5-11(10)17(15,16)14-7-8-2-1-3-8/h4-6,8,14H,1-3,7H2
InChIKeyYGHRWCPFNSIAHO-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide (CID 47257510) is 2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide is O=S(=O)(NCC1CCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide?
The InChIKey is YGHRWCPFNSIAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2S/c12-10-6-9(13)4-5-11(10)17(15,16)14-7-8-2-1-3-8/h4-6,8,14H,1-3,7H2.
What are the key properties of 2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide?
2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide has a molecular weight of 322.20 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclobutylmethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 47257510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).