2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

C21H24N4O4S — CID 55408588

IUPAC2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C21H24N4O4S/c1-14-8-9-19(15(2)12-14)30(28,29)22-11-10-20(26)23-24-21(27)17-13-25(3)18-7-5-4-6-16(17)18/h4-9,12-13,22H,10-11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLLNCJJLGYKXZKJ-UHFFFAOYSA-N
MW428.51 g/mol
LogP1.92
Rot. Bonds6

About 2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 55408588) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID55408588
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cn(C)c3ccccc23)c(C)c1
InChIInChI=1S/C21H24N4O4S/c1-14-8-9-19(15(2)12-14)30(28,29)22-11-10-20(26)23-24-21(27)17-13-25(3)18-7-5-4-6-16(17)18/h4-9,12-13,22H,10-11H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyLLNCJJLGYKXZKJ-UHFFFAOYSA-N
XLogP1.92
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
CID 40717339
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 90535155
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 40717303
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-[2-methyl-5-[[(1-methylindole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
CID 55556337
N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 24634429
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17443745
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 24641233

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 55408588) is 2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cn(C)c3ccccc23)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is LLNCJJLGYKXZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14-8-9-19(15(2)12-14)30(28,29)22-11-10-20(26)23-24-21(27)17-13-25(3)18-7-5-4-6-16(17)18/h4-9,12-13,22H,10-11H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 428.51 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55408588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).