N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone

C17H20N2O4S — CID 157447458

IUPACN-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
SMILESCC(=O)c1cccc(N)c1.CC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H11NO3S.C8H9NO/c1-7(11)8-4-3-5-9(6-8)10-14(2,12)13;1-6(10)7-3-2-4-8(9)5-7/h3-6,10H,1-2H3;2-5H,9H2,1H3
InChIKeyBSJYFPLVYBTIMH-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.73
Rot. Bonds4

About N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone

N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone (PubChem CID 157447458) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone.

Molecular Properties

Compound NameN-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
PubChem CID157447458
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
SMILESCC(=O)c1cccc(N)c1.CC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C9H11NO3S.C8H9NO/c1-7(11)8-4-3-5-9(6-8)10-14(2,12)13;1-6(10)7-3-2-4-8(9)5-7/h3-6,10H,1-2H3;2-5H,9H2,1H3
InChIKeyBSJYFPLVYBTIMH-UHFFFAOYSA-N
XLogP2.73
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
(3-acetylphenyl)sulfamic acid
CID 12629151
3-bromoaniline;N-(3-bromophenyl)methanesulfonamide;methanesulfonyl chloride
CID 159407379
N-(3-acetylphenyl)-1-chloromethanesulfonamide
CID 63666365
N'-hydroxy-3-(methanesulfonamido)benzenecarboximidamide
CID 23592571
1-[3-(4-aminoanilino)phenyl]ethanone
CID 82287829
1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
CID 113421750
methyl 2-[(3-acetylphenyl)sulfamoyl]propanoate
CID 61458645
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
N-[3-[(2E)-2-hydroxyiminoacetyl]phenyl]methanesulfonamide
CID 87742571
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone?
The IUPAC name of N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone (CID 157447458) is N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone.
What is the SMILES notation for N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone?
The canonical SMILES for N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone is CC(=O)c1cccc(N)c1.CC(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone?
The InChIKey is BSJYFPLVYBTIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S.C8H9NO/c1-7(11)8-4-3-5-9(6-8)10-14(2,12)13;1-6(10)7-3-2-4-8(9)5-7/h3-6,10H,1-2H3;2-5H,9H2,1H3.
What are the key properties of N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone?
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone has a molecular weight of 348.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone is sourced from PubChem (CID 157447458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).