N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide

C19H15ClFNO3S — CID 122184517

IUPACN-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H15ClFNO3S/c1-25-14-7-9-15(10-8-14)26(23,24)22-19-5-3-2-4-16(19)13-6-11-18(21)17(20)12-13/h2-12,22H,1H3
InChIKeyPZLPSHYSJPUFPZ-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.96
Rot. Bonds5

About N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide

N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 122184517) has the molecular formula C19H15ClFNO3S and a molecular weight of 391.85 g/mol. Its IUPAC name is N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID122184517
Molecular FormulaC19H15ClFNO3S
Molecular Weight391.85 g/mol
Exact Mass391.04
IUPAC NameN-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C19H15ClFNO3S/c1-25-14-7-9-15(10-8-14)26(23,24)22-19-5-3-2-4-16(19)13-6-11-18(21)17(20)12-13/h2-12,22H,1H3
InChIKeyPZLPSHYSJPUFPZ-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3333876
CID 3333876
CID 122184518
CID 122184518
CID 755970
CID 755970
CID 796476
CID 796476
CID 974570
CID 974570
CID 1259343
CID 1259343
CID 118707083
CID 118707083
CID 122184505
CID 122184505
CID 122184506
CID 122184506
CID 122184507
CID 122184507
CID 122184512
CID 122184512
CID 122184513
CID 122184513

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide (CID 122184517) is N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is PZLPSHYSJPUFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3S/c1-25-14-7-9-15(10-8-14)26(23,24)22-19-5-3-2-4-16(19)13-6-11-18(21)17(20)12-13/h2-12,22H,1H3.
What are the key properties of N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide?
N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 391.85 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 122184517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).