3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

C14H13Cl2NO3S — CID 26948553

IUPAC3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO3S/c1-20-14-5-3-2-4-10(14)9-17-21(18,19)11-6-7-12(15)13(16)8-11/h2-8,17H,9H2,1H3
InChIKeyMOPNMJLLXSJDGX-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.48
Rot. Bonds5

About 3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 26948553) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID26948553
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO3S/c1-20-14-5-3-2-4-10(14)9-17-21(18,19)11-6-7-12(15)13(16)8-11/h2-8,17H,9H2,1H3
InChIKeyMOPNMJLLXSJDGX-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

3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164415
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921805
3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3449670
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (CID 26948553) is 3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is MOPNMJLLXSJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-20-14-5-3-2-4-10(14)9-17-21(18,19)11-6-7-12(15)13(16)8-11/h2-8,17H,9H2,1H3.
What are the key properties of 3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
3,4-dichloro-N-[(2-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 3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 26948553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).