2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C14H13Cl2NO3S — CID 26948085

IUPAC2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO3S/c1-20-11-7-5-10(6-8-11)9-17-21(18,19)14-12(15)3-2-4-13(14)16/h2-8,17H,9H2,1H3
InChIKeyCKNFIIHREFLSRT-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.48
Rot. Bonds5

About 2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 26948085) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID26948085
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H13Cl2NO3S/c1-20-11-7-5-10(6-8-11)9-17-21(18,19)14-12(15)3-2-4-13(14)16/h2-8,17H,9H2,1H3
InChIKeyCKNFIIHREFLSRT-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide
CID 166221599
2,6-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232766
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
CID 18892919
2,6-dichloro-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 28536185
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 26948085) is 2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is CKNFIIHREFLSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-20-11-7-5-10(6-8-11)9-17-21(18,19)14-12(15)3-2-4-13(14)16/h2-8,17H,9H2,1H3.
What are the key properties of 2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 26948085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).