N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide

C14H13Cl2NO3S — CID 897393

IUPACN-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO3S/c1-20-11-3-5-12(6-4-11)21(18,19)17-9-10-2-7-13(15)14(16)8-10/h2-8,17H,9H2,1H3
InChIKeyJQMSMXUBXLKLMY-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.48
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide

N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 897393) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
PubChem CID897393
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO3S/c1-20-11-3-5-12(6-4-11)21(18,19)17-9-10-2-7-13(15)14(16)8-10/h2-8,17H,9H2,1H3
InChIKeyJQMSMXUBXLKLMY-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

1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 19680647
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide (CID 897393) is N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is JQMSMXUBXLKLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-20-11-3-5-12(6-4-11)21(18,19)17-9-10-2-7-13(15)14(16)8-10/h2-8,17H,9H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide?
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide 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 N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 897393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).