2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide

C19H22BrN3O5S — CID 24539257

IUPAC2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C19H22BrN3O5S/c1-13(2)28-15-9-7-14(8-10-15)19(25)23-22-18(24)11-12-21-29(26,27)17-6-4-3-5-16(17)20/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVPFHPOBEKOZFJG-UHFFFAOYSA-N
MW484.37 g/mol
LogP2.37
Rot. Bonds8

About 2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide

2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide (PubChem CID 24539257) has the molecular formula C19H22BrN3O5S and a molecular weight of 484.37 g/mol. Its IUPAC name is 2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
PubChem CID24539257
Molecular FormulaC19H22BrN3O5S
Molecular Weight484.37 g/mol
Exact Mass483.05
IUPAC Name2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C19H22BrN3O5S/c1-13(2)28-15-9-7-14(8-10-15)19(25)23-22-18(24)11-12-21-29(26,27)17-6-4-3-5-16(17)20/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVPFHPOBEKOZFJG-UHFFFAOYSA-N
XLogP2.37
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
CID 24539260
N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
CID 4789042
N'-butanoyl-4-propan-2-yloxybenzohydrazide
CID 17340325
N'-[3-(2-hydroxyphenyl)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 17496431
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
N'-(2-bromophenyl)sulfonyl-4-methoxybenzohydrazide
CID 8615398
[(1R)-1-cyanoethyl] 3-[(2-bromophenyl)sulfonylamino]propanoate
CID 7993728
2-fluoro-N-[(2S)-1-oxo-1-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 24539255
N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
CID 4952087
N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 18279573
N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 2090650
3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 60516647

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide (CID 24539257) is 2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide is CC(C)Oc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide?
The InChIKey is VPFHPOBEKOZFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O5S/c1-13(2)28-15-9-7-14(8-10-15)19(25)23-22-18(24)11-12-21-29(26,27)17-6-4-3-5-16(17)20/h3-10,13,21H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide?
2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide has a molecular weight of 484.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide is sourced from PubChem (CID 24539257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).