N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

C20H23N3O4S — CID 27681428

IUPACN-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H23N3O4S/c1-14-6-10-18(11-7-14)28(26,27)23(2)13-19(24)21-22-20(25)17-9-8-15-4-3-5-16(15)12-17/h6-12H,3-5,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYKFNXIXDIBKERK-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.57
Rot. Bonds5

About N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 27681428) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
PubChem CID27681428
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H23N3O4S/c1-14-6-10-18(11-7-14)28(26,27)23(2)13-19(24)21-22-20(25)17-9-8-15-4-3-5-16(15)12-17/h6-12H,3-5,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyYKFNXIXDIBKERK-UHFFFAOYSA-N
XLogP1.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3,4-dimethylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978883
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N,4-dimethyl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 26854587
N-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978885
N-[2-[2-(2-hydroxy-5-methylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681289
N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide
CID 9189120
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9495307
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetic acid
CID 43084240
N-[4-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011603
N-[2-[2-(5-bromo-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 55376510

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (CID 27681428) is N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is YKFNXIXDIBKERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14-6-10-18(11-7-14)28(26,27)23(2)13-19(24)21-22-20(25)17-9-8-15-4-3-5-16(15)12-17/h6-12H,3-5,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3-dihydro-1H-indene-5-carbonyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 27681428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).