4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide

C19H20N2O4S — CID 34969110

IUPAC4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNC(=O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C19H20N2O4S/c1-26(24,25)16-10-8-14(9-11-16)17(22)20-21-18(23)19(12-5-13-19)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyWGMGCJSTRVHYGX-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.97
Rot. Bonds4

About 4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide

4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide (PubChem CID 34969110) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide
PubChem CID34969110
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNC(=O)C2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C19H20N2O4S/c1-26(24,25)16-10-8-14(9-11-16)17(22)20-21-18(23)19(12-5-13-19)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyWGMGCJSTRVHYGX-UHFFFAOYSA-N
XLogP1.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.97
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

4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide
CID 31704429
N-[1-(4-methylsulfonylphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 133165833
2-[[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]amino]acetic acid
CID 122557896
N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
4-methylsulfonyl-N'-phenylbenzohydrazide
CID 15453816
N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27685918
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188
N-[3-methyl-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 55675733
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 3266949
N-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121498243
N-[2-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 39048961
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide?
The IUPAC name of 4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide (CID 34969110) is 4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide.
What is the SMILES notation for 4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide?
The canonical SMILES for 4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide is CS(=O)(=O)c1ccc(C(=O)NNC(=O)C2(c3ccccc3)CCC2)cc1.
What is the InChIKey of 4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide?
The InChIKey is WGMGCJSTRVHYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-26(24,25)16-10-8-14(9-11-16)17(22)20-21-18(23)19(12-5-13-19)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide?
4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide has a molecular weight of 372.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide is sourced from PubChem (CID 34969110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).