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

C18H23NO4S — CID 3814873

IUPACN-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2CO)c(C)c1C
InChIInChI=1S/C18H23NO4S/c1-11-6-7-16(15(8-11)10-20)19-24(21,22)18-12(2)9-17(23-5)13(3)14(18)4/h6-9,19-20H,10H2,1-5H3
InChIKeyVZLRGKCSSRSTGB-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.22
Rot. Bonds5

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

N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide (PubChem CID 3814873) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
PubChem CID3814873
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2CO)c(C)c1C
InChIInChI=1S/C18H23NO4S/c1-11-6-7-16(15(8-11)10-20)19-24(21,22)18-12(2)9-17(23-5)13(3)14(18)4/h6-9,19-20H,10H2,1-5H3
InChIKeyVZLRGKCSSRSTGB-UHFFFAOYSA-N
XLogP3.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide 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

5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 3852204
4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 3602682
5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
CID 3856276
3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 74225912
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3701047
(2-methoxy-4-methylphenyl)sulfamic acid
CID 57354125
2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3828753
4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3870164
diethyl 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanedioate
CID 3860519
4-methoxy-2,3,6-trimethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 3797487
4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide
CID 171675227
N-[(4-bromophenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3781710

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide (CID 3814873) is N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2CO)c(C)c1C.
What is the InChIKey of N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide?
The InChIKey is VZLRGKCSSRSTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-11-6-7-16(15(8-11)10-20)19-24(21,22)18-12(2)9-17(23-5)13(3)14(18)4/h6-9,19-20H,10H2,1-5H3.
What are the key properties of N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide?
N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 3814873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).