N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide

C9H13N3O3S — CID 23454955

IUPACN-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide
SMILESCC(=O)NNc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C9H13N3O3S/c1-7(13)10-11-8-3-5-9(6-4-8)12-16(2,14)15/h3-6,11-12H,1-2H3,(H,10,13)
InChIKeyKWKGDCVPDVFJBN-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.52
Rot. Bonds4

About N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide

N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide (PubChem CID 23454955) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide
PubChem CID23454955
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC NameN-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide
SMILESCC(=O)NNc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C9H13N3O3S/c1-7(13)10-11-8-3-5-9(6-4-8)12-16(2,14)15/h3-6,11-12H,1-2H3,(H,10,13)
InChIKeyKWKGDCVPDVFJBN-UHFFFAOYSA-N
XLogP0.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
CID 90390717
CID 90390717
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
CID 6612326
N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide
CID 173077948
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
CID 23176875
CID 23176875
4-[4-(methanesulfonamido)phenyl]benzenesulfonic acid
CID 90200210
methyl (2S)-2-amino-3-[4-(methanesulfonamido)phenyl]propanoate
CID 58863518
1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875136
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide (CID 23454955) is N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide is CC(=O)NNc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide?
The InChIKey is KWKGDCVPDVFJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-7(13)10-11-8-3-5-9(6-4-8)12-16(2,14)15/h3-6,11-12H,1-2H3,(H,10,13).
What are the key properties of N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide?
N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide has a molecular weight of 243.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide is sourced from PubChem (CID 23454955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).