N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide

C18H17N3O4S — CID 7594196

IUPACN'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide
SMILESCC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4S/c1-12(22)13-7-9-14(10-8-13)26(24,25)20-19-18(23)16-11-21(2)17-6-4-3-5-15(16)17/h3-11,20H,1-2H3,(H,19,23)
InChIKeyWXCKPLOVWAWEPX-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.00
Rot. Bonds5

About N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide

N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide (PubChem CID 7594196) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide
PubChem CID7594196
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide
SMILESCC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4S/c1-12(22)13-7-9-14(10-8-13)26(24,25)20-19-18(23)16-11-21(2)17-6-4-3-5-15(16)17/h3-11,20H,1-2H3,(H,19,23)
InChIKeyWXCKPLOVWAWEPX-UHFFFAOYSA-N
XLogP2.00
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylindole-3-carbohydrazide
CID 8823945
N'-(4-chloro-3-nitrophenyl)sulfonyl-1-methylindole-3-carbohydrazide
CID 25359424
1-[4-[[(1-methylindole-3-carbonyl)amino]sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 55614780
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
CID 55556337
N-tert-butyl-2-chloro-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 31737799
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-1-methylindole-3-carbohydrazide
CID 27658436
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide (CID 7594196) is N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide is CC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide?
The InChIKey is WXCKPLOVWAWEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-12(22)13-7-9-14(10-8-13)26(24,25)20-19-18(23)16-11-21(2)17-6-4-3-5-15(16)17/h3-11,20H,1-2H3,(H,19,23).
What are the key properties of N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide?
N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide has a molecular weight of 371.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetylphenyl)sulfonyl-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 7594196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).