2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide

C17H15Cl2FN2O4S — CID 162645468

IUPAC2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide
SMILESN#Cc1ccc(OCC(O)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C17H15Cl2FN2O4S/c18-12-2-4-17(15(19)7-12)27(24,25)22-6-5-13(23)10-26-14-3-1-11(9-21)16(20)8-14/h1-4,7-8,13,22-23H,5-6,10H2
InChIKeyDSQWEZTZYLHZEY-UHFFFAOYSA-N
MW433.29 g/mol
LogP3.11
Rot. Bonds8

About 2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide

2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide (PubChem CID 162645468) has the molecular formula C17H15Cl2FN2O4S and a molecular weight of 433.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide
PubChem CID162645468
Molecular FormulaC17H15Cl2FN2O4S
Molecular Weight433.29 g/mol
Exact Mass432.01
IUPAC Name2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide
SMILESN#Cc1ccc(OCC(O)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C17H15Cl2FN2O4S/c18-12-2-4-17(15(19)7-12)27(24,25)22-6-5-13(23)10-26-14-3-1-11(9-21)16(20)8-14/h1-4,7-8,13,22-23H,5-6,10H2
InChIKeyDSQWEZTZYLHZEY-UHFFFAOYSA-N
XLogP3.11
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide (CID 162645468) is 2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide is N#Cc1ccc(OCC(O)CCNS(=O)(=O)c2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of 2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide?
The InChIKey is DSQWEZTZYLHZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O4S/c18-12-2-4-17(15(19)7-12)27(24,25)22-6-5-13(23)10-26-14-3-1-11(9-21)16(20)8-14/h1-4,7-8,13,22-23H,5-6,10H2.
What are the key properties of 2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide?
2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide has a molecular weight of 433.29 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(4-cyano-3-fluorophenoxy)-3-hydroxybutyl]benzenesulfonamide is sourced from PubChem (CID 162645468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).