N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide

C10H13BrFNO2S — CID 6468897

IUPACN-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO2S/c1-2-3-6-16(14,15)13-10-5-4-8(11)7-9(10)12/h4-5,7,13H,2-3,6H2,1H3
InChIKeyNQMOSPVOGOWISP-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.13
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide

N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide (PubChem CID 6468897) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
PubChem CID6468897
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC NameN-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO2S/c1-2-3-6-16(14,15)13-10-5-4-8(11)7-9(10)12/h4-5,7,13H,2-3,6H2,1H3
InChIKeyNQMOSPVOGOWISP-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2,4-dichlorophenyl)butane-1-sulfonamide
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N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
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4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide (CID 6468897) is N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide?
The InChIKey is NQMOSPVOGOWISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-2-3-6-16(14,15)13-10-5-4-8(11)7-9(10)12/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide?
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide has a molecular weight of 310.19 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 6468897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).