4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide

C14H11ClF3NO4S — CID 22465590

IUPAC4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(F)c(Cl)c(F)c2F)cc1OC
InChIInChI=1S/C14H11ClF3NO4S/c1-22-9-4-3-7(5-10(9)23-2)19-24(20,21)11-6-8(16)12(15)14(18)13(11)17/h3-6,19H,1-2H3
InChIKeyZDQZOQPJNDXFBT-UHFFFAOYSA-N
MW381.76 g/mol
LogP3.58
Rot. Bonds5

About 4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide

4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide (PubChem CID 22465590) has the molecular formula C14H11ClF3NO4S and a molecular weight of 381.76 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide
PubChem CID22465590
Molecular FormulaC14H11ClF3NO4S
Molecular Weight381.76 g/mol
Exact Mass381.00
IUPAC Name4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(F)c(Cl)c(F)c2F)cc1OC
InChIInChI=1S/C14H11ClF3NO4S/c1-22-9-4-3-7(5-10(9)23-2)19-24(20,21)11-6-8(16)12(15)14(18)13(11)17/h3-6,19H,1-2H3
InChIKeyZDQZOQPJNDXFBT-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide (CID 22465590) is 4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(F)c(Cl)c(F)c2F)cc1OC.
What is the InChIKey of 4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide?
The InChIKey is ZDQZOQPJNDXFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO4S/c1-22-9-4-3-7(5-10(9)23-2)19-24(20,21)11-6-8(16)12(15)14(18)13(11)17/h3-6,19H,1-2H3.
What are the key properties of 4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide?
4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide has a molecular weight of 381.76 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dimethoxyphenyl)-2,3,5-trifluorobenzenesulfonamide is sourced from PubChem (CID 22465590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).