N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide

C10H11BrFNO2S — CID 91651938

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C10H11BrFNO2S/c1-6-4-9(12)8(11)5-10(6)13-16(14,15)7-2-3-7/h4-5,7,13H,2-3H2,1H3
InChIKeyGCVOKGXQMWHASX-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.80
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide

N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide (PubChem CID 91651938) has the molecular formula C10H11BrFNO2S and a molecular weight of 308.17 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide
PubChem CID91651938
Molecular FormulaC10H11BrFNO2S
Molecular Weight308.17 g/mol
Exact Mass306.97
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide
SMILESCc1cc(F)c(Br)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C10H11BrFNO2S/c1-6-4-9(12)8(11)5-10(6)13-16(14,15)7-2-3-7/h4-5,7,13H,2-3H2,1H3
InChIKeyGCVOKGXQMWHASX-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide (CID 91651938) is N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide is Cc1cc(F)c(Br)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide?
The InChIKey is GCVOKGXQMWHASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2S/c1-6-4-9(12)8(11)5-10(6)13-16(14,15)7-2-3-7/h4-5,7,13H,2-3H2,1H3.
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide?
N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide has a molecular weight of 308.17 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)cyclopropanesulfonamide is sourced from PubChem (CID 91651938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).