4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide

C16H17F2NO3S — CID 73168435

IUPAC4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(F)c(C)c1)c1cccc(F)c1
InChIInChI=1S/C16H17F2NO3S/c1-11-8-14(6-7-15(11)18)23(20,21)19-10-16(22-2)12-4-3-5-13(17)9-12/h3-9,16,19H,10H2,1-2H3
InChIKeyNSOLPLYCSYHXTG-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.94
Rot. Bonds6

About 4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide

4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide (PubChem CID 73168435) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
PubChem CID73168435
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(F)c(C)c1)c1cccc(F)c1
InChIInChI=1S/C16H17F2NO3S/c1-11-8-14(6-7-15(11)18)23(20,21)19-10-16(22-2)12-4-3-5-13(17)9-12/h3-9,16,19H,10H2,1-2H3
InChIKeyNSOLPLYCSYHXTG-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 90623048
N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 90623072
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112
5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 73168447
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
CID 90623062
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489
(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide
CID 73168430
N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 90584021
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 90613477

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide (CID 73168435) is 4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide is COC(CNS(=O)(=O)c1ccc(F)c(C)c1)c1cccc(F)c1.
What is the InChIKey of 4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide?
The InChIKey is NSOLPLYCSYHXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-11-8-14(6-7-15(11)18)23(20,21)19-10-16(22-2)12-4-3-5-13(17)9-12/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 73168435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).