4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide

C15H15BrN2O3S — CID 26951527

IUPAC4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide
SMILESCc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O3S/c1-10-3-4-11(2)14(9-10)22(20,21)18-17-15(19)12-5-7-13(16)8-6-12/h3-9,18H,1-2H3,(H,17,19)
InChIKeyJZQXQRNKEBAXNP-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.69
Rot. Bonds4

About 4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide

4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide (PubChem CID 26951527) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide
PubChem CID26951527
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide
SMILESCc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O3S/c1-10-3-4-11(2)14(9-10)22(20,21)18-17-15(19)12-5-7-13(16)8-6-12/h3-9,18H,1-2H3,(H,17,19)
InChIKeyJZQXQRNKEBAXNP-UHFFFAOYSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.69
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

4-bromo-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 26951559
tert-butyl N-[(2,5-dimethylphenyl)sulfonylamino]carbamate
CID 8500958
N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
CID 32673196
dimethyl 2-[[(4-bromobenzoyl)amino]sulfamoyl]benzene-1,4-dicarboxylate
CID 26951548
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2213935
N'-(5-bromo-2-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 8511867
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N'-(5-bromo-2-methylphenyl)sulfonyl-3-methylbutanehydrazide
CID 8518022
N-[2-(4-bromophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113099742
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide
CID 8616801

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide?
The IUPAC name of 4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide (CID 26951527) is 4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide is Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide?
The InChIKey is JZQXQRNKEBAXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c1-10-3-4-11(2)14(9-10)22(20,21)18-17-15(19)12-5-7-13(16)8-6-12/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide?
4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide has a molecular weight of 383.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(2,5-dimethylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 26951527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).