2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide

C10H13ClFNO3S — CID 102697607

IUPAC2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNO3S/c1-7(16-2)6-13-17(14,15)10-5-8(12)3-4-9(10)11/h3-5,7,13H,6H2,1-2H3
InChIKeyRIVUQZYACGFAJW-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.79
Rot. Bonds5

About 2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide

2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102697607) has the molecular formula C10H13ClFNO3S and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102697607
Molecular FormulaC10H13ClFNO3S
Molecular Weight281.74 g/mol
Exact Mass281.03
IUPAC Name2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFNO3S/c1-7(16-2)6-13-17(14,15)10-5-8(12)3-4-9(10)11/h3-5,7,13H,6H2,1-2H3
InChIKeyRIVUQZYACGFAJW-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100
5-fluoro-N-(2-methoxypropyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921102
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide
CID 102701595
2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701358
2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
CID 115701461
2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide
CID 105400660
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400692
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide (CID 102697607) is 2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide is COC(C)CNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is RIVUQZYACGFAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO3S/c1-7(16-2)6-13-17(14,15)10-5-8(12)3-4-9(10)11/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 281.74 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102697607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).