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

C22H19N3O4S — CID 138634373

IUPACN-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide
SMILESCn1cc(-c2ccccc2)c2cc(NS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21
InChIInChI=1S/C22H19N3O4S/c1-25-14-20(15-5-3-2-4-6-15)19-13-17(9-12-21(19)25)24-30(28,29)18-10-7-16(8-11-18)22(26)23-27/h2-14,24,27H,1H3,(H,23,26)
InChIKeyKEHIACLIMHQKKL-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.77
Rot. Bonds5

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

N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide (PubChem CID 138634373) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide
PubChem CID138634373
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide
SMILESCn1cc(-c2ccccc2)c2cc(NS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21
InChIInChI=1S/C22H19N3O4S/c1-25-14-20(15-5-3-2-4-6-15)19-13-17(9-12-21(19)25)24-30(28,29)18-10-7-16(8-11-18)22(26)23-27/h2-14,24,27H,1H3,(H,23,26)
InChIKeyKEHIACLIMHQKKL-UHFFFAOYSA-N
XLogP3.77
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.77
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

4-[[3-(2-fluorophenyl)-1-methylindol-5-yl]sulfamoyl]-N-hydroxybenzamide
CID 138668859
N-hydroxy-4-[[1-methyl-3-(3-phenylmethoxyphenyl)indol-5-yl]sulfamoyl]benzamide
CID 138634359
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
1-(1-methyl-3-phenylindol-6-yl)ethanone
CID 59626112
4-[[3-(1-benzothiophen-3-yl)-1-methylindol-5-yl]methylsulfonyl]-N-hydroxybenzamide;N-hydroxy-4-[[1-methyl-3-(4-phenylphenyl)indol-5-yl]methylsulfonyl]benzamide;N-hydroxy-4-[[1-methyl-3-[3-(trifluoromethyl)phenyl]indol-5-yl]methylsulfonyl]benzamide
CID 157175191
N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3110691
N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide
CID 25325851
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 118947290

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide?
The IUPAC name of N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide (CID 138634373) is N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide is Cn1cc(-c2ccccc2)c2cc(NS(=O)(=O)c3ccc(C(=O)NO)cc3)ccc21.
What is the InChIKey of N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide?
The InChIKey is KEHIACLIMHQKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-25-14-20(15-5-3-2-4-6-15)19-13-17(9-12-21(19)25)24-30(28,29)18-10-7-16(8-11-18)22(26)23-27/h2-14,24,27H,1H3,(H,23,26).
What are the key properties of N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide?
N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide has a molecular weight of 421.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide is sourced from PubChem (CID 138634373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).