N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide

C11H14BrN3O4S — CID 5053878

IUPACN-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
SMILESCC(Br)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14BrN3O4S/c1-8(12)11(17)15-14-10(16)7-13-20(18,19)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyOTUBGIJFMVUUNG-UHFFFAOYSA-N
MW364.22 g/mol
LogP-0.10
Rot. Bonds5

About N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide

N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide (PubChem CID 5053878) has the molecular formula C11H14BrN3O4S and a molecular weight of 364.22 g/mol. Its IUPAC name is N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
PubChem CID5053878
Molecular FormulaC11H14BrN3O4S
Molecular Weight364.22 g/mol
Exact Mass362.99
IUPAC NameN-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
SMILESCC(Br)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H14BrN3O4S/c1-8(12)11(17)15-14-10(16)7-13-20(18,19)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyOTUBGIJFMVUUNG-UHFFFAOYSA-N
XLogP-0.10
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(2R)-2-amino-3-phenylpropanoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 131888129
2-(benzenesulfonamido)-N-[(Z)-2-methylpentan-3-ylideneamino]acetamide
CID 9236234
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9089374
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438
N-[2-oxo-2-[2-[(E)-3-phenylsulfanylprop-2-enoyl]hydrazinyl]ethyl]benzenesulfonamide
CID 9089372
2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
CID 63914257
2-[[2-(benzenesulfonamido)acetyl]-methylamino]propanoic acid
CID 62627987
(2R)-2-amino-N-[2-(benzenesulfonamido)ethyl]propanamide
CID 119279110
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 24638338
2-(benzenesulfonamido)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 9237631

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide (CID 5053878) is N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide is CC(Br)C(=O)NNC(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is OTUBGIJFMVUUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4S/c1-8(12)11(17)15-14-10(16)7-13-20(18,19)9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 364.22 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 5053878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).