4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide

C18H22N2O3S — CID 923515

IUPAC4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-5-11-16(12-6-13)24(22,23)20-19-17(21)14-7-9-15(10-8-14)18(2,3)4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyDXFDAZQTJABMEE-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.92
Rot. Bonds4

About 4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide

4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide (PubChem CID 923515) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
PubChem CID923515
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-5-11-16(12-6-13)24(22,23)20-19-17(21)14-7-9-15(10-8-14)18(2,3)4/h5-12,20H,1-4H3,(H,19,21)
InChIKeyDXFDAZQTJABMEE-UHFFFAOYSA-N
XLogP2.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.92
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-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
3-[[(4-tert-butylbenzoyl)amino]sulfamoyl]benzenesulfonamide
CID 18206920
4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 155949885
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
4-tert-butyl-N-[2,2,2-trichloro-1-[[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]carbamothioylamino]ethyl]benzamide
CID 18839663
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
N'-(5-bromothiophen-2-yl)sulfonyl-4-methylbenzohydrazide
CID 8616801
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The IUPAC name of 4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide (CID 923515) is 4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The InChIKey is DXFDAZQTJABMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-5-11-16(12-6-13)24(22,23)20-19-17(21)14-7-9-15(10-8-14)18(2,3)4/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of 4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide?
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide has a molecular weight of 346.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 923515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).