N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide

C14H13ClFNO3S — CID 110780300

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
SMILESCOc1ccc(Cl)cc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO3S/c1-20-14-7-2-11(15)8-10(14)9-17-21(18,19)13-5-3-12(16)4-6-13/h2-8,17H,9H2,1H3
InChIKeyNCZPGFCSVVHCRB-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.97
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide

N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 110780300) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
PubChem CID110780300
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
SMILESCOc1ccc(Cl)cc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13ClFNO3S/c1-20-14-7-2-11(15)8-10(14)9-17-21(18,19)13-5-3-12(16)4-6-13/h2-8,17H,9H2,1H3
InChIKeyNCZPGFCSVVHCRB-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-[(5-fluoro-2-methoxyphenyl)methyl]methanesulfonamide
CID 110780215
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide (CID 110780300) is N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide is COc1ccc(Cl)cc1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is NCZPGFCSVVHCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-20-14-7-2-11(15)8-10(14)9-17-21(18,19)13-5-3-12(16)4-6-13/h2-8,17H,9H2,1H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110780300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).