N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide

C14H13ClFNO3S — CID 3829600

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H13ClFNO3S/c1-20-12-4-6-13(7-5-12)21(18,19)17-9-10-2-3-11(16)8-14(10)15/h2-8,17H,9H2,1H3
InChIKeyACXLZJWXZAEMJM-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.97
Rot. Bonds5

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

N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 3829600) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
PubChem CID3829600
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H13ClFNO3S/c1-20-12-4-6-13(7-5-12)21(18,19)17-9-10-2-3-11(16)8-14(10)15/h2-8,17H,9H2,1H3
InChIKeyACXLZJWXZAEMJM-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

N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3338012
4-methoxy-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4204453
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247
N-[2-chloro-4-[(2-chloro-4-fluorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25038184
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634
5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 3338013
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide (CID 3829600) is N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is ACXLZJWXZAEMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-20-12-4-6-13(7-5-12)21(18,19)17-9-10-2-3-11(16)8-14(10)15/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide?
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide 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-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3829600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).