3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide

C17H21NO6S — CID 18738997

IUPAC3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C
InChIInChI=1S/C17H21NO6S/c1-11-6-7-12(8-14(11)21-2)18-25(19,20)13-9-15(22-3)17(24-5)16(10-13)23-4/h6-10,18H,1-5H3
InChIKeyNTQMXRDXUVUAIA-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.83
Rot. Bonds7

About 3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide

3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide (PubChem CID 18738997) has the molecular formula C17H21NO6S and a molecular weight of 367.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide
PubChem CID18738997
Molecular FormulaC17H21NO6S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Name3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C
InChIInChI=1S/C17H21NO6S/c1-11-6-7-12(8-14(11)21-2)18-25(19,20)13-9-15(22-3)17(24-5)16(10-13)23-4/h6-10,18H,1-5H3
InChIKeyNTQMXRDXUVUAIA-UHFFFAOYSA-N
XLogP2.83
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
N-(3-methoxy-4-methylphenyl)-4-nitrobenzenesulfonamide
CID 170925249
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26657138
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid
CID 56808928
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
3,4-dimethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981118

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide (CID 18738997) is 3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C.
What is the InChIKey of 3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is NTQMXRDXUVUAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6S/c1-11-6-7-12(8-14(11)21-2)18-25(19,20)13-9-15(22-3)17(24-5)16(10-13)23-4/h6-10,18H,1-5H3.
What are the key properties of 3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide?
3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 367.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 18738997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).