N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide

C17H19ClN2O3S — CID 134120408

IUPACN'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-17(2,3)20(24(22,23)15-7-5-4-6-8-15)19-16(21)13-9-11-14(18)12-10-13/h4-12H,1-3H3,(H,19,21)
InChIKeyLFSSOXYSFBTQGW-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.47
Rot. Bonds4

About N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide

N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide (PubChem CID 134120408) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide
PubChem CID134120408
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-17(2,3)20(24(22,23)15-7-5-4-6-8-15)19-16(21)13-9-11-14(18)12-10-13/h4-12H,1-3H3,(H,19,21)
InChIKeyLFSSOXYSFBTQGW-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.47
H-Bond Donors ≤ 51
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-tert-butylphenyl)sulfonyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 56847025
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-benzoyl-4-chloro-N'-(3-hydroxy-2,2-dimethylpropyl)benzohydrazide
CID 134100624
N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
CID 7760850
N-[1-(4-chlorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 112761400
N-[(3S)-1-(benzenesulfonyl)pentan-3-yl]-4-chlorobenzamide
CID 96564832
[tert-butyl-[(4-chlorobenzoyl)amino]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate
CID 3764164
N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 26861330
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide (CID 134120408) is N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide is CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide?
The InChIKey is LFSSOXYSFBTQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-17(2,3)20(24(22,23)15-7-5-4-6-8-15)19-16(21)13-9-11-14(18)12-10-13/h4-12H,1-3H3,(H,19,21).
What are the key properties of N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide?
N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide has a molecular weight of 366.87 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N'-tert-butyl-4-chlorobenzohydrazide is sourced from PubChem (CID 134120408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).