N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide

C15H15Cl2NO4S — CID 17375973

IUPACN-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C15H15Cl2NO4S/c1-21-11-4-6-15(14(8-11)22-2)23(19,20)18-9-10-3-5-12(16)13(17)7-10/h3-8,18H,9H2,1-2H3
InChIKeyUEKNRUUENHUVRT-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.49
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide

N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 17375973) has the molecular formula C15H15Cl2NO4S and a molecular weight of 376.26 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID17375973
Molecular FormulaC15H15Cl2NO4S
Molecular Weight376.26 g/mol
Exact Mass375.01
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)c(OC)c1
InChIInChI=1S/C15H15Cl2NO4S/c1-21-11-4-6-15(14(8-11)22-2)23(19,20)18-9-10-3-5-12(16)13(17)7-10/h3-8,18H,9H2,1-2H3
InChIKeyUEKNRUUENHUVRT-UHFFFAOYSA-N
XLogP3.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
CID 28537972
2,4-dimethoxy-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782771
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 32681146
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534
2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
CID 110719005

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide (CID 17375973) is N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)c(OC)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is UEKNRUUENHUVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO4S/c1-21-11-4-6-15(14(8-11)22-2)23(19,20)18-9-10-3-5-12(16)13(17)7-10/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide?
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 376.26 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 17375973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).