2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide

C11H13BrFNO2S — CID 115765501

IUPAC2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(F)cc2Br)CCC1
InChIInChI=1S/C11H13BrFNO2S/c1-11(5-2-6-11)14-17(15,16)10-4-3-8(13)7-9(10)12/h3-4,7,14H,2,5-6H2,1H3
InChIKeyDSLJYFBPZZBRJM-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.81
Rot. Bonds3

About 2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide

2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide (PubChem CID 115765501) has the molecular formula C11H13BrFNO2S and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
PubChem CID115765501
Molecular FormulaC11H13BrFNO2S
Molecular Weight322.20 g/mol
Exact Mass320.98
IUPAC Name2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(F)cc2Br)CCC1
InChIInChI=1S/C11H13BrFNO2S/c1-11(5-2-6-11)14-17(15,16)10-4-3-8(13)7-9(10)12/h3-4,7,14H,2,5-6H2,1H3
InChIKeyDSLJYFBPZZBRJM-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 61364584
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687486
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
5-amino-2-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485258
2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65110234
4-[(2-bromo-4-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291981
2-bromo-4-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122783
2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634630
2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485273
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide (CID 115765501) is 2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide is CC1(NS(=O)(=O)c2ccc(F)cc2Br)CCC1.
What is the InChIKey of 2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide?
The InChIKey is DSLJYFBPZZBRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2S/c1-11(5-2-6-11)14-17(15,16)10-4-3-8(13)7-9(10)12/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide has a molecular weight of 322.20 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 115765501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).