N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide

C16H19NO5S — CID 5184948

IUPACN-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CO)cc1OC
InChIInChI=1S/C16H19NO5S/c1-11-5-4-6-12(10-18)16(11)17-23(19,20)13-7-8-14(21-2)15(9-13)22-3/h4-9,17-18H,10H2,1-3H3
InChIKeyPGVWUZCMZRMNSW-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide

N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 5184948) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID5184948
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC NameN-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CO)cc1OC
InChIInChI=1S/C16H19NO5S/c1-11-5-4-6-12(10-18)16(11)17-23(19,20)13-7-8-14(21-2)15(9-13)22-3/h4-9,17-18H,10H2,1-3H3
InChIKeyPGVWUZCMZRMNSW-UHFFFAOYSA-N
XLogP2.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide
CID 74224377
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 28538282
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202096
3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
CID 113098500
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzenesulfonamide
CID 112985917
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide (CID 5184948) is N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cccc2CO)cc1OC.
What is the InChIKey of N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is PGVWUZCMZRMNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-11-5-4-6-12(10-18)16(11)17-23(19,20)13-7-8-14(21-2)15(9-13)22-3/h4-9,17-18H,10H2,1-3H3.
What are the key properties of N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-6-methylphenyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 5184948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).