N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide

C22H21BrN2O3S — CID 60573595

IUPACN'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide
SMILESO=C(CS(=O)(=O)Cc1cccc(Br)c1)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21BrN2O3S/c23-20-11-7-10-19(14-20)16-29(27,28)17-22(26)24-25(21-12-5-2-6-13-21)15-18-8-3-1-4-9-18/h1-14H,15-17H2,(H,24,26)
InChIKeyXCGANZPPEBCBBD-UHFFFAOYSA-N
MW473.39 g/mol
LogP4.10
Rot. Bonds8

About N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide

N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide (PubChem CID 60573595) has the molecular formula C22H21BrN2O3S and a molecular weight of 473.39 g/mol. Its IUPAC name is N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide.

Molecular Properties

Compound NameN'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide
PubChem CID60573595
Molecular FormulaC22H21BrN2O3S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC NameN'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide
SMILESO=C(CS(=O)(=O)Cc1cccc(Br)c1)NN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21BrN2O3S/c23-20-11-7-10-19(14-20)16-29(27,28)17-22(26)24-25(21-12-5-2-6-13-21)15-18-8-3-1-4-9-18/h1-14H,15-17H2,(H,24,26)
InChIKeyXCGANZPPEBCBBD-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromophenyl)methylsulfonyl]acetic acid
CID 24709843
N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide
CID 119384113
(2R)-2-[[2-[(3-bromophenyl)methylsulfonyl]acetyl]amino]-3-methylbutanoic acid
CID 119368324
2-[(3-bromophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 7731168
N-(3-aminopropyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119407314
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119607578
2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 60531511
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119574464
N'-benzyl-3-methyl-N'-phenylbutanehydrazide
CID 39477039
2-[[2-[(3-bromophenyl)methylsulfonyl]acetyl]amino]-N-propan-2-ylbenzamide
CID 52741726
N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119587419
2-[(3-bromophenyl)methylsulfonyl]-N-(1,4-dimethylcyclohexyl)acetamide
CID 52834535

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide?
The IUPAC name of N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide (CID 60573595) is N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide.
What is the SMILES notation for N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide?
The canonical SMILES for N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide is O=C(CS(=O)(=O)Cc1cccc(Br)c1)NN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide?
The InChIKey is XCGANZPPEBCBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3S/c23-20-11-7-10-19(14-20)16-29(27,28)17-22(26)24-25(21-12-5-2-6-13-21)15-18-8-3-1-4-9-18/h1-14H,15-17H2,(H,24,26).
What are the key properties of N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide?
N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide has a molecular weight of 473.39 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-2-[(3-bromophenyl)methylsulfonyl]-N'-phenylacetohydrazide is sourced from PubChem (CID 60573595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).