N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide

C20H19NO4S — CID 175262057

IUPACN-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccccc2)c(O)cc1O
InChIInChI=1S/C20H19NO4S/c1-21(14-15-8-4-2-5-9-15)26(24,25)20-12-17(18(22)13-19(20)23)16-10-6-3-7-11-16/h2-13,22-23H,14H2,1H3
InChIKeyATGKOMGFXKCUEB-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.59
Rot. Bonds5

About N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide

N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide (PubChem CID 175262057) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide
PubChem CID175262057
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC NameN-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccccc2)c(O)cc1O
InChIInChI=1S/C20H19NO4S/c1-21(14-15-8-4-2-5-9-15)26(24,25)20-12-17(18(22)13-19(20)23)16-10-6-3-7-11-16/h2-13,22-23H,14H2,1H3
InChIKeyATGKOMGFXKCUEB-UHFFFAOYSA-N
XLogP3.59
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide 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-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide
CID 10215206
N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide
CID 135424894
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide
CID 68737669
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]methylbenzene
CID 43501816
2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
CID 69275017
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42348958
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
2-amino-N-benzyl-4-methoxy-N-methylbenzenesulfonamide
CID 29278456
N-benzyl-4-(chloromethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 79180404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide?
The IUPAC name of N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide (CID 175262057) is N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cc(-c2ccccc2)c(O)cc1O.
What is the InChIKey of N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide?
The InChIKey is ATGKOMGFXKCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-21(14-15-8-4-2-5-9-15)26(24,25)20-12-17(18(22)13-19(20)23)16-10-6-3-7-11-16/h2-13,22-23H,14H2,1H3.
What are the key properties of N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide?
N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide has a molecular weight of 369.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide is sourced from PubChem (CID 175262057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).