2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

C15H15Cl2NO5S — CID 2988024

IUPAC2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC
InChIInChI=1S/C15H15Cl2NO5S/c1-21-12-7-10(8-13(22-2)15(12)23-3)18-24(19,20)14-6-9(16)4-5-11(14)17/h4-8,18H,1-3H3
InChIKeyAIQVOQITQLJYQN-UHFFFAOYSA-N
MW392.26 g/mol
LogP3.82
Rot. Bonds6

About 2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (PubChem CID 2988024) has the molecular formula C15H15Cl2NO5S and a molecular weight of 392.26 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
PubChem CID2988024
Molecular FormulaC15H15Cl2NO5S
Molecular Weight392.26 g/mol
Exact Mass391.00
IUPAC Name2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC
InChIInChI=1S/C15H15Cl2NO5S/c1-21-12-7-10(8-13(22-2)15(12)23-3)18-24(19,20)14-6-9(16)4-5-11(14)17/h4-8,18H,1-3H3
InChIKeyAIQVOQITQLJYQN-UHFFFAOYSA-N
XLogP3.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide
CID 53092178
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
2,5-dichloro-N-[4-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 122188435
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
CID 57437853
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (CID 2988024) is 2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC.
What is the InChIKey of 2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The InChIKey is AIQVOQITQLJYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO5S/c1-21-12-7-10(8-13(22-2)15(12)23-3)18-24(19,20)14-6-9(16)4-5-11(14)17/h4-8,18H,1-3H3.
What are the key properties of 2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide has a molecular weight of 392.26 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2988024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).