N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide

C15H14Cl2FNO3S — CID 3704298

IUPACN-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide
SMILESCC(C)Oc1cc(NS(=O)(=O)c2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FNO3S/c1-9(2)22-15-8-14(12(16)7-13(15)17)19-23(20,21)11-5-3-4-10(18)6-11/h3-9,19H,1-2H3
InChIKeyWIQWNUZCWIPTIA-UHFFFAOYSA-N
MW378.25 g/mol
LogP4.72
Rot. Bonds5

About N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide

N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide (PubChem CID 3704298) has the molecular formula C15H14Cl2FNO3S and a molecular weight of 378.25 g/mol. Its IUPAC name is N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide
PubChem CID3704298
Molecular FormulaC15H14Cl2FNO3S
Molecular Weight378.25 g/mol
Exact Mass377.01
IUPAC NameN-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide
SMILESCC(C)Oc1cc(NS(=O)(=O)c2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FNO3S/c1-9(2)22-15-8-14(12(16)7-13(15)17)19-23(20,21)11-5-3-4-10(18)6-11/h3-9,19H,1-2H3
InChIKeyWIQWNUZCWIPTIA-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide (CID 3704298) is N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide is CC(C)Oc1cc(NS(=O)(=O)c2cccc(F)c2)c(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is WIQWNUZCWIPTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO3S/c1-9(2)22-15-8-14(12(16)7-13(15)17)19-23(20,21)11-5-3-4-10(18)6-11/h3-9,19H,1-2H3.
What are the key properties of N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide?
N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide has a molecular weight of 378.25 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 3704298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).