N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide

C10H12BrClFNO3S — CID 107612678

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H12BrClFNO3S/c1-17-3-2-4-18(15,16)14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4H2,1H3
InChIKeyXRSXJUIRNQEJDN-UHFFFAOYSA-N
MW360.63 g/mol
LogP3.02
Rot. Bonds6

About N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide (PubChem CID 107612678) has the molecular formula C10H12BrClFNO3S and a molecular weight of 360.63 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
PubChem CID107612678
Molecular FormulaC10H12BrClFNO3S
Molecular Weight360.63 g/mol
Exact Mass358.94
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H12BrClFNO3S/c1-17-3-2-4-18(15,16)14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4H2,1H3
InChIKeyXRSXJUIRNQEJDN-UHFFFAOYSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 155434953
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CID 172569909
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CID 83059087
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CID 104922621
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CID 104922627
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CID 104922630

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide (CID 107612678) is N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is XRSXJUIRNQEJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClFNO3S/c1-17-3-2-4-18(15,16)14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4H2,1H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 360.63 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 107612678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).