N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide

C29H25N3O5S — CID 138634359

IUPACN-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide
SMILESCn1cc(-c2cccc(OCc3ccccc3)c2)c2cc(NS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21
InChIInChI=1S/C29H25N3O5S/c1-32-18-27(22-8-5-9-24(16-22)37-19-20-6-3-2-4-7-20)26-17-23(12-15-28(26)32)31-38(35,36)25-13-10-21(11-14-25)29(33)30-34/h2-18,31,34H,19H2,1H3,(H,30,33)
InChIKeyIZTNWCDABNKJFV-UHFFFAOYSA-N
MW527.60 g/mol
LogP5.34
Rot. Bonds8

About N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide

N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide (PubChem CID 138634359) has the molecular formula C29H25N3O5S and a molecular weight of 527.60 g/mol. Its IUPAC name is N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide
PubChem CID138634359
Molecular FormulaC29H25N3O5S
Molecular Weight527.60 g/mol
Exact Mass527.15
IUPAC NameN-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide
SMILESCn1cc(-c2cccc(OCc3ccccc3)c2)c2cc(NS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21
InChIInChI=1S/C29H25N3O5S/c1-32-18-27(22-8-5-9-24(16-22)37-19-20-6-3-2-4-7-20)26-17-23(12-15-28(26)32)31-38(35,36)25-13-10-21(11-14-25)29(33)30-34/h2-18,31,34H,19H2,1H3,(H,30,33)
InChIKeyIZTNWCDABNKJFV-UHFFFAOYSA-N
XLogP5.34
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.60
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide 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-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide
CID 138634373
4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide
CID 138668859
4-[[3-(3-chloro-4-fluorophenyl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;4-[[3-(3-chlorophenyl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[(1-methyl-3-naphthalen-2-ylindol-5-yl)methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]methylsulfonyl]benzamide
CID 157360555
4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 169372382
N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 70194773
5-methyl-2-[[4-[(3-phenylmethoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 142866107
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6024079
4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615
4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685715
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
N-[2-(1-methyl-5-phenylmethoxyindol-3-yl)ethyl]propanamide
CID 84580371

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide?
The IUPAC name of N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide (CID 138634359) is N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide is Cn1cc(-c2cccc(OCc3ccccc3)c2)c2cc(NS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21.
What is the InChIKey of N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide?
The InChIKey is IZTNWCDABNKJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O5S/c1-32-18-27(22-8-5-9-24(16-22)37-19-20-6-3-2-4-7-20)26-17-23(12-15-28(26)32)31-38(35,36)25-13-10-21(11-14-25)29(33)30-34/h2-18,31,34H,19H2,1H3,(H,30,33).
What are the key properties of N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide?
N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide has a molecular weight of 527.60 g/mol, XLogP of 5.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide is sourced from PubChem (CID 138634359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).