N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide

C17H18N2O4S2 — CID 4796702

IUPACN'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-12-3-7-14(8-4-12)24-11-16(20)18-19-17(21)13-5-9-15(10-6-13)25(2,22)23/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAWRUVEZGRQTYGB-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.95
Rot. Bonds5

About N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide

N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide (PubChem CID 4796702) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide
PubChem CID4796702
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC NameN'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H18N2O4S2/c1-12-3-7-14(8-4-12)24-11-16(20)18-19-17(21)13-5-9-15(10-6-13)25(2,22)23/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAWRUVEZGRQTYGB-UHFFFAOYSA-N
XLogP1.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.95
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

4-(N-(4-methylphenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11258440
2-(N-(2-methylphenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11350445
4-(N-(2-methylphenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11373291
2-(N-(4-methylphenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11407281
N-{[(benzenesulfonyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11773896
N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2616176
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide
CID 9402867
Benzoic acid, 2-(phenylsulfonyl)hydrazide
CID 243378
Benzamide, p-(isopropylsulfonyl)-
CID 210035
N,N-diethyl-4-{[2-(2-thienylcarbonyl)hydrazino]carbonyl}benzenesulfonamide
CID 1381288
4-(dimethylsulfamoyl)-N-(2-phenylsulfanylacetyl)benzamide
CID 2556970

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide (CID 4796702) is N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide is Cc1ccc(SCC(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide?
The InChIKey is AWRUVEZGRQTYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-12-3-7-14(8-4-12)24-11-16(20)18-19-17(21)13-5-9-15(10-6-13)25(2,22)23/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide?
N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide has a molecular weight of 378.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide is sourced from PubChem (CID 4796702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).