1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide

C16H17ClFNO3S — CID 110288266

IUPAC1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCCOc1ccc(F)cc1
InChIInChI=1S/C16H17ClFNO3S/c17-16-5-2-1-4-13(16)12-23(20,21)19-10-3-11-22-15-8-6-14(18)7-9-15/h1-2,4-9,19H,3,10-12H2
InChIKeyBIHGSCDRVGLRSV-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.37
Rot. Bonds8

About 1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide

1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide (PubChem CID 110288266) has the molecular formula C16H17ClFNO3S and a molecular weight of 357.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide
PubChem CID110288266
Molecular FormulaC16H17ClFNO3S
Molecular Weight357.83 g/mol
Exact Mass357.06
IUPAC Name1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCCOc1ccc(F)cc1
InChIInChI=1S/C16H17ClFNO3S/c17-16-5-2-1-4-13(16)12-23(20,21)19-10-3-11-22-15-8-6-14(18)7-9-15/h1-2,4-9,19H,3,10-12H2
InChIKeyBIHGSCDRVGLRSV-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.37
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

1-(2-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 4317850
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
1-(2-chlorophenyl)-N-heptylmethanesulfonamide
CID 17257569
3-(4-fluorophenoxy)-N-(methylsulfamoyl)propan-1-amine
CID 110627344
1-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]methanesulfonamide
CID 110782254
1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780996
6-chloro-N-[3-(4-fluorophenoxy)propyl]pyridine-3-sulfonamide
CID 110307295
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
1-(2-chlorophenyl)-N-(2-cycloheptyloxyethyl)methanesulfonamide
CID 86972438
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide (CID 110288266) is 1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCCCOc1ccc(F)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide?
The InChIKey is BIHGSCDRVGLRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO3S/c17-16-5-2-1-4-13(16)12-23(20,21)19-10-3-11-22-15-8-6-14(18)7-9-15/h1-2,4-9,19H,3,10-12H2.
What are the key properties of 1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide has a molecular weight of 357.83 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[3-(4-fluorophenoxy)propyl]methanesulfonamide is sourced from PubChem (CID 110288266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).