4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide

C22H18FN3O4S — CID 138668859

IUPAC4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide
SMILESCn1cc(-c2ccccc2F)c2cc(NS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21
InChIInChI=1S/C22H18FN3O4S/c1-26-13-19(17-4-2-3-5-20(17)23)18-12-15(8-11-21(18)26)25-31(29,30)16-9-6-14(7-10-16)22(27)24-28/h2-13,25,28H,1H3,(H,24,27)
InChIKeyLVRXFAPFODGQDJ-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.90
Rot. Bonds5

About 4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide

4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide (PubChem CID 138668859) has the molecular formula C22H18FN3O4S and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide
PubChem CID138668859
Molecular FormulaC22H18FN3O4S
Molecular Weight439.47 g/mol
Exact Mass439.10
IUPAC Name4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide
SMILESCn1cc(-c2ccccc2F)c2cc(NS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21
InChIInChI=1S/C22H18FN3O4S/c1-26-13-19(17-4-2-3-5-20(17)23)18-12-15(8-11-21(18)26)25-31(29,30)16-9-6-14(7-10-16)22(27)24-28/h2-13,25,28H,1H3,(H,24,27)
InChIKeyLVRXFAPFODGQDJ-UHFFFAOYSA-N
XLogP3.90
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide
CID 138634373
N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide
CID 138634359
3-(2-fluorophenyl)-1-methylindole-6-carboxylic acid
CID 170838792
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
5-[(4-tert-butylphenyl)sulfonylamino]-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid
CID 69246004
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide
CID 11561582
4-fluoro-N-[1-methyl-3-[1-(2,3,3-trimethylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
CID 135334858
N-[3-[1-[(2R)-2-cyclopentylpropanoyl]piperidin-4-yl]-1-methylindol-5-yl]-4-fluorobenzenesulfonamide
CID 122443179
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid
CID 65436899
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide (CID 138668859) is 4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide is Cn1cc(-c2ccccc2F)c2cc(NS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21.
What is the InChIKey of 4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide?
The InChIKey is LVRXFAPFODGQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4S/c1-26-13-19(17-4-2-3-5-20(17)23)18-12-15(8-11-21(18)26)25-31(29,30)16-9-6-14(7-10-16)22(27)24-28/h2-13,25,28H,1H3,(H,24,27).
What are the key properties of 4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide?
4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide has a molecular weight of 439.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide is sourced from PubChem (CID 138668859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).