2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide

C14H12Cl3NO4S — CID 1005068

IUPAC2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)cc1Cl
InChIInChI=1S/C14H12Cl3NO4S/c1-21-12-7-11(13(22-2)6-10(12)17)18-23(19,20)14-5-8(15)3-4-9(14)16/h3-7,18H,1-2H3
InChIKeyPZUMZRYSBBEFHC-UHFFFAOYSA-N
MW396.68 g/mol
LogP4.46
Rot. Bonds5

About 2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide

2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide (PubChem CID 1005068) has the molecular formula C14H12Cl3NO4S and a molecular weight of 396.68 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
PubChem CID1005068
Molecular FormulaC14H12Cl3NO4S
Molecular Weight396.68 g/mol
Exact Mass394.96
IUPAC Name2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)cc1Cl
InChIInChI=1S/C14H12Cl3NO4S/c1-21-12-7-11(13(22-2)6-10(12)17)18-23(19,20)14-5-8(15)3-4-9(14)16/h3-7,18H,1-2H3
InChIKeyPZUMZRYSBBEFHC-UHFFFAOYSA-N
XLogP4.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.68
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
CID 24621377
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1258973
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide (CID 1005068) is 2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is PZUMZRYSBBEFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO4S/c1-21-12-7-11(13(22-2)6-10(12)17)18-23(19,20)14-5-8(15)3-4-9(14)16/h3-7,18H,1-2H3.
What are the key properties of 2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide?
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 396.68 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1005068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).