4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide

C17H17BrN2O3S — CID 26951568

IUPAC4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c18-15-8-5-13(6-9-15)17(21)19-20-24(22,23)16-10-7-12-3-1-2-4-14(12)11-16/h5-11,20H,1-4H2,(H,19,21)
InChIKeyDLRIYJJHIROHLZ-UHFFFAOYSA-N
MW409.31 g/mol
LogP2.95
Rot. Bonds4

About 4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide

4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide (PubChem CID 26951568) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is 4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
PubChem CID26951568
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3S/c18-15-8-5-13(6-9-15)17(21)19-20-24(22,23)16-10-7-12-3-1-2-4-14(12)11-16/h5-11,20H,1-4H2,(H,19,21)
InChIKeyDLRIYJJHIROHLZ-UHFFFAOYSA-N
XLogP2.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 52.95
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'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide
CID 8617486
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide
CID 8617605
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
4-bromo-N'-(4-cyanophenyl)sulfonylbenzohydrazide
CID 26951550
1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide
CID 18092883
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
4-bromo-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 26951559
3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide
CID 17433853
N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9471660
2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
N-(5-bromo-2-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62908088
N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide
CID 8500457

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide?
The IUPAC name of 4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide (CID 26951568) is 4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide.
What is the SMILES notation for 4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide?
The canonical SMILES for 4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide is O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide?
The InChIKey is DLRIYJJHIROHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c18-15-8-5-13(6-9-15)17(21)19-20-24(22,23)16-10-7-12-3-1-2-4-14(12)11-16/h5-11,20H,1-4H2,(H,19,21).
What are the key properties of 4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide?
4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide has a molecular weight of 409.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide is sourced from PubChem (CID 26951568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).