N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide

C9H10BrClFNO2S — CID 107602659

IUPACN-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1c(F)cccc1Br
InChIInChI=1S/C9H10BrClFNO2S/c10-7-3-1-4-8(12)9(7)13-16(14,15)6-2-5-11/h1,3-4,13H,2,5-6H2
InChIKeyGQUWKKNWJIPBML-UHFFFAOYSA-N
MW330.61 g/mol
LogP2.96
Rot. Bonds5

About N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide

N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide (PubChem CID 107602659) has the molecular formula C9H10BrClFNO2S and a molecular weight of 330.61 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
PubChem CID107602659
Molecular FormulaC9H10BrClFNO2S
Molecular Weight330.61 g/mol
Exact Mass328.93
IUPAC NameN-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1c(F)cccc1Br
InChIInChI=1S/C9H10BrClFNO2S/c10-7-3-1-4-8(12)9(7)13-16(14,15)6-2-5-11/h1,3-4,13H,2,5-6H2
InChIKeyGQUWKKNWJIPBML-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide
CID 107602655
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
N-(2-bromo-6-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107601145
N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 106000006
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 107600421
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 114142503
N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706
N-(2,6-dibromophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106088845

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide (CID 107602659) is N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide is O=S(=O)(CCCCl)Nc1c(F)cccc1Br.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide?
The InChIKey is GQUWKKNWJIPBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFNO2S/c10-7-3-1-4-8(12)9(7)13-16(14,15)6-2-5-11/h1,3-4,13H,2,5-6H2.
What are the key properties of N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide?
N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide has a molecular weight of 330.61 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide is sourced from PubChem (CID 107602659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).