N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide

C21H16N2O3S — CID 10172619

IUPACN'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C21H16N2O3S/c24-21(22-23-27(25,26)20-9-5-2-6-10-20)19-15-13-18(14-16-19)12-11-17-7-3-1-4-8-17/h1-10,13-16,23H,(H,22,24)
InChIKeySSWVTSNHKGSGFP-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.71
Rot. Bonds4

About N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide

N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide (PubChem CID 10172619) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
PubChem CID10172619
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C21H16N2O3S/c24-21(22-23-27(25,26)20-9-5-2-6-10-20)19-15-13-18(14-16-19)12-11-17-7-3-1-4-8-17/h1-10,13-16,23H,(H,22,24)
InChIKeySSWVTSNHKGSGFP-UHFFFAOYSA-N
XLogP2.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium N'-(benzenesulfonyl)benzohydrazide
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4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
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N'-(benzenesulfonyl)-3-bromobenzohydrazide
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4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
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N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 155949885
2-[[4-(2-phenylethynyl)phenyl]sulfonylamino]acetic acid
CID 67588445
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide (CID 10172619) is N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide?
The InChIKey is SSWVTSNHKGSGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-21(22-23-27(25,26)20-9-5-2-6-10-20)19-15-13-18(14-16-19)12-11-17-7-3-1-4-8-17/h1-10,13-16,23H,(H,22,24).
What are the key properties of N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide?
N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide has a molecular weight of 376.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide is sourced from PubChem (CID 10172619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).