3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide

C13H8Cl2F3NO3S — CID 10340088

IUPAC3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(Cl)c(F)c(Cl)c2F)cc1
InChIInChI=1S/C13H8Cl2F3NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-11(17)8(14)10(16)9(15)12(13)18/h2-5,19H,1H3
InChIKeyJAOHKGJZZPPKCS-UHFFFAOYSA-N
MW386.18 g/mol
LogP4.22
Rot. Bonds4

About 3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide

3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 10340088) has the molecular formula C13H8Cl2F3NO3S and a molecular weight of 386.18 g/mol. Its IUPAC name is 3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID10340088
Molecular FormulaC13H8Cl2F3NO3S
Molecular Weight386.18 g/mol
Exact Mass384.96
IUPAC Name3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(Cl)c(F)c(Cl)c2F)cc1
InChIInChI=1S/C13H8Cl2F3NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-11(17)8(14)10(16)9(15)12(13)18/h2-5,19H,1H3
InChIKeyJAOHKGJZZPPKCS-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide (CID 10340088) is 3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(F)c(Cl)c(F)c(Cl)c2F)cc1.
What is the InChIKey of 3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is JAOHKGJZZPPKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO3S/c1-22-7-4-2-6(3-5-7)19-23(20,21)13-11(17)8(14)10(16)9(15)12(13)18/h2-5,19H,1H3.
What are the key properties of 3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide?
3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 386.18 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10340088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).