N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide

C16H19NO6S — CID 1004366

IUPACN-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C16H19NO6S/c1-20-13-7-5-11(9-15(13)22-3)17-24(18,19)12-6-8-14(21-2)16(10-12)23-4/h5-10,17H,1-4H3
InChIKeyZQHZIUSVRPMQQI-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.52
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide

N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 1004366) has the molecular formula C16H19NO6S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID1004366
Molecular FormulaC16H19NO6S
Molecular Weight353.40 g/mol
Exact Mass353.09
IUPAC NameN-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C16H19NO6S/c1-20-13-7-5-11(9-15(13)22-3)17-24(18,19)12-6-8-14(21-2)16(10-12)23-4/h5-10,17H,1-4H3
InChIKeyZQHZIUSVRPMQQI-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

4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-amino-N-(3-methoxyphenyl)benzenesulfonamide
CID 16795336
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzenesulfonamide
CID 852233
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1129998
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide
CID 2376193
N-(1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide
CID 2384847
3,4-dimethoxy-N-(4-(piperidin-1-ylsulfonyl)phenyl)benzenesulfonamide
CID 663081
N-1,3-benzodioxol-5-yl-5-fluoro-2-methoxybenzenesulfonamide
CID 1508539
N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 3236356
N-(2-amino-4-methoxyphenyl)-N-(benzenesulfonyl)benzenesulfonamide
CID 3720867

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide (CID 1004366) is N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is ZQHZIUSVRPMQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6S/c1-20-13-7-5-11(9-15(13)22-3)17-24(18,19)12-6-8-14(21-2)16(10-12)23-4/h5-10,17H,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide?
N-(3,4-dimethoxyphenyl)-3,4-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-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1004366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).