2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide

C15H14Cl2FNO3S — CID 90623112

IUPAC2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H14Cl2FNO3S/c1-22-14(10-3-2-4-12(18)7-10)9-19-23(20,21)15-8-11(16)5-6-13(15)17/h2-8,14,19H,9H2,1H3
InChIKeyHHQZZKVHKULNRS-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.80
Rot. Bonds6

About 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide

2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide (PubChem CID 90623112) has the molecular formula C15H14Cl2FNO3S and a molecular weight of 378.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
PubChem CID90623112
Molecular FormulaC15H14Cl2FNO3S
Molecular Weight378.25 g/mol
Exact Mass377.01
IUPAC Name2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H14Cl2FNO3S/c1-22-14(10-3-2-4-12(18)7-10)9-19-23(20,21)15-8-11(16)5-6-13(15)17/h2-8,14,19H,9H2,1H3
InChIKeyHHQZZKVHKULNRS-UHFFFAOYSA-N
XLogP3.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 73168435
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 90623048
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
N-[2-(3-fluorophenyl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 90623072
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
2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168532
3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 166396048
(E)-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-phenylethenesulfonamide
CID 73168430
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide (CID 90623112) is 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide is COC(CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1.
What is the InChIKey of 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The InChIKey is HHQZZKVHKULNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO3S/c1-22-14(10-3-2-4-12(18)7-10)9-19-23(20,21)15-8-11(16)5-6-13(15)17/h2-8,14,19H,9H2,1H3.
What are the key properties of 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide has a molecular weight of 378.25 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide is sourced from PubChem (CID 90623112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).