N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide

C14H13ClFNO4S — CID 768965

IUPACN-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1OC
InChIInChI=1S/C14H13ClFNO4S/c1-20-13-6-4-10(8-14(13)21-2)22(18,19)17-9-3-5-12(16)11(15)7-9/h3-8,17H,1-2H3
InChIKeyUJFDGGPUQFRGFJ-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.30
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide

N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 768965) has the molecular formula C14H13ClFNO4S and a molecular weight of 345.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID768965
Molecular FormulaC14H13ClFNO4S
Molecular Weight345.78 g/mol
Exact Mass345.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1OC
InChIInChI=1S/C14H13ClFNO4S/c1-20-13-6-4-10(8-14(13)21-2)22(18,19)17-9-3-5-12(16)11(15)7-9/h3-8,17H,1-2H3
InChIKeyUJFDGGPUQFRGFJ-UHFFFAOYSA-N
XLogP3.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide (CID 768965) is N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is UJFDGGPUQFRGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO4S/c1-20-13-6-4-10(8-14(13)21-2)22(18,19)17-9-3-5-12(16)11(15)7-9/h3-8,17H,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide?
N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 345.78 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 768965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).