3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide

C15H14Cl2FNO3S — CID 26012217

IUPAC3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C15H14Cl2FNO3S/c1-9(10-3-4-15(22-2)14(18)5-10)19-23(20,21)13-7-11(16)6-12(17)8-13/h3-9,19H,1-2H3/t9-/m0/s1
InChIKeyGSRDIRHHZOBXNT-VIFPVBQESA-N
MW378.25 g/mol
LogP4.18
Rot. Bonds5

About 3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide

3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 26012217) has the molecular formula C15H14Cl2FNO3S and a molecular weight of 378.25 g/mol. Its IUPAC name is 3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID26012217
Molecular FormulaC15H14Cl2FNO3S
Molecular Weight378.25 g/mol
Exact Mass377.01
IUPAC Name3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C15H14Cl2FNO3S/c1-9(10-3-4-15(22-2)14(18)5-10)19-23(20,21)13-7-11(16)6-12(17)8-13/h3-9,19H,1-2H3/t9-/m0/s1
InChIKeyGSRDIRHHZOBXNT-VIFPVBQESA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzene-1,4-disulfonamide
CID 46633618
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 18097036
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methanesulfonamido)benzenesulfonamide
CID 47084855
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18097068
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 38255503
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
2-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 46567252
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide (CID 26012217) is 3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F.
What is the InChIKey of 3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is GSRDIRHHZOBXNT-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14Cl2FNO3S/c1-9(10-3-4-15(22-2)14(18)5-10)19-23(20,21)13-7-11(16)6-12(17)8-13/h3-9,19H,1-2H3/t9-/m0/s1.
What are the key properties of 3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide?
3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 378.25 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 26012217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).