N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide

C14H13ClFNO4S — CID 743380

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1Cl
InChIInChI=1S/C14H13ClFNO4S/c1-20-13-8-12(14(21-2)7-11(13)15)17-22(18,19)10-5-3-9(16)4-6-10/h3-8,17H,1-2H3
InChIKeyZEVRGDDSXZKBCD-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.30
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide (PubChem CID 743380) has the molecular formula C14H13ClFNO4S and a molecular weight of 345.78 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide
PubChem CID743380
Molecular FormulaC14H13ClFNO4S
Molecular Weight345.78 g/mol
Exact Mass345.02
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1Cl
InChIInChI=1S/C14H13ClFNO4S/c1-20-13-8-12(14(21-2)7-11(13)15)17-22(18,19)10-5-3-9(16)4-6-10/h3-8,17H,1-2H3
InChIKeyZEVRGDDSXZKBCD-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-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide (CID 743380) is N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is ZEVRGDDSXZKBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO4S/c1-20-13-8-12(14(21-2)7-11(13)15)17-22(18,19)10-5-3-9(16)4-6-10/h3-8,17H,1-2H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide 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-(4-chloro-2,5-dimethoxyphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 743380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).