3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide

C14H12ClF2NO3S — CID 110782247

IUPAC3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C14H12ClF2NO3S/c1-21-14-5-4-11(7-12(14)15)22(19,20)18-8-9-2-3-10(16)6-13(9)17/h2-7,18H,8H2,1H3
InChIKeyAOWPLYDFCYRJSL-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.11
Rot. Bonds5

About 3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide

3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 110782247) has the molecular formula C14H12ClF2NO3S and a molecular weight of 347.77 g/mol. Its IUPAC name is 3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
PubChem CID110782247
Molecular FormulaC14H12ClF2NO3S
Molecular Weight347.77 g/mol
Exact Mass347.02
IUPAC Name3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C14H12ClF2NO3S/c1-21-14-5-4-11(7-12(14)15)22(19,20)18-8-9-2-3-10(16)6-13(9)17/h2-7,18H,8H2,1H3
InChIKeyAOWPLYDFCYRJSL-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3338012
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide (CID 110782247) is 3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(F)cc2F)cc1Cl.
What is the InChIKey of 3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is AOWPLYDFCYRJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO3S/c1-21-14-5-4-11(7-12(14)15)22(19,20)18-8-9-2-3-10(16)6-13(9)17/h2-7,18H,8H2,1H3.
What are the key properties of 3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 347.77 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110782247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).