N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide

C16H19NO6S — CID 24989180

IUPACN-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)cc(S(=O)(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C16H19NO6S/c1-20-11-5-6-16(23-4)15(10-11)17-24(18,19)14-8-12(21-2)7-13(9-14)22-3/h5-10,17H,1-4H3
InChIKeyPMGBYXBBJLHEGL-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.52
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide

N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide (PubChem CID 24989180) has the molecular formula C16H19NO6S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
PubChem CID24989180
Molecular FormulaC16H19NO6S
Molecular Weight353.40 g/mol
Exact Mass353.09
IUPAC NameN-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)cc(S(=O)(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C16H19NO6S/c1-20-11-5-6-16(23-4)15(10-11)17-24(18,19)14-8-12(21-2)7-13(9-14)22-3/h5-10,17H,1-4H3
InChIKeyPMGBYXBBJLHEGL-UHFFFAOYSA-N
XLogP2.52
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 106058867
1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 63665098
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide (CID 24989180) is N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide is COc1cc(OC)cc(S(=O)(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide?
The InChIKey is PMGBYXBBJLHEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6S/c1-20-11-5-6-16(23-4)15(10-11)17-24(18,19)14-8-12(21-2)7-13(9-14)22-3/h5-10,17H,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide?
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide has a molecular weight of 353.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 24989180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).