N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide

C10H15N3O4S — CID 3351082

IUPACN-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)NN)cc1
InChIInChI=1S/C10H15N3O4S/c1-7(10(14)12-11)13-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,13H,11H2,1-2H3,(H,12,14)
InChIKeyCBYMEYONXOKDHB-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.65
Rot. Bonds5

About N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide

N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 3351082) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID3351082
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC NameN-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)NN)cc1
InChIInChI=1S/C10H15N3O4S/c1-7(10(14)12-11)13-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,13H,11H2,1-2H3,(H,12,14)
InChIKeyCBYMEYONXOKDHB-UHFFFAOYSA-N
XLogP-0.65
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
[1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927675
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124549862

Frequently Asked Questions

What is the IUPAC name of N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide (CID 3351082) is N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)C(=O)NN)cc1.
What is the InChIKey of N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is CBYMEYONXOKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7(10(14)12-11)13-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,13H,11H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide?
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 273.31 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3351082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).