N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide

C16H17BrN2O3S — CID 8504967

IUPACN'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(Br)c(C)c2)c(C)c1
InChIInChI=1S/C16H17BrN2O3S/c1-10-4-6-14(11(2)8-10)16(20)18-19-23(21,22)13-5-7-15(17)12(3)9-13/h4-9,19H,1-3H3,(H,18,20)
InChIKeyLOCFNAMEYDSKCA-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.00
Rot. Bonds4

About N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide

N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide (PubChem CID 8504967) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide
PubChem CID8504967
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(Br)c(C)c2)c(C)c1
InChIInChI=1S/C16H17BrN2O3S/c1-10-4-6-14(11(2)8-10)16(20)18-19-23(21,22)13-5-7-15(17)12(3)9-13/h4-9,19H,1-3H3,(H,18,20)
InChIKeyLOCFNAMEYDSKCA-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide
CID 8500457
ethyl N-[(4-bromo-3-methylphenyl)sulfonylamino]carbamate
CID 2697001
2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
CID 8822934
N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504948
N'-(2,4-difluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504905
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488
N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 9276694
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methylbenzohydrazide
CID 4730098
4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide
CID 19205161
N'-(3,4-dimethylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980796

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide (CID 8504967) is N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Br)c(C)c2)c(C)c1.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide?
The InChIKey is LOCFNAMEYDSKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-10-4-6-14(11(2)8-10)16(20)18-19-23(21,22)13-5-7-15(17)12(3)9-13/h4-9,19H,1-3H3,(H,18,20).
What are the key properties of N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide?
N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide has a molecular weight of 397.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 8504967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).