2-(methanesulfonamidomethyl)benzamide

C9H12N2O3S — CID 69038851

IUPAC2-(methanesulfonamidomethyl)benzamide
SMILESCS(=O)(=O)NCc1ccccc1C(N)=O
InChIInChI=1S/C9H12N2O3S/c1-15(13,14)11-6-7-4-2-3-5-8(7)9(10)12/h2-5,11H,6H2,1H3,(H2,10,12)
InChIKeyDCHLIFNYOPRCGQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.17
Rot. Bonds4

About 2-(methanesulfonamidomethyl)benzamide

2-(methanesulfonamidomethyl)benzamide (PubChem CID 69038851) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(methanesulfonamidomethyl)benzamide.

Molecular Properties

Compound Name2-(methanesulfonamidomethyl)benzamide
PubChem CID69038851
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-(methanesulfonamidomethyl)benzamide
SMILESCS(=O)(=O)NCc1ccccc1C(N)=O
InChIInChI=1S/C9H12N2O3S/c1-15(13,14)11-6-7-4-2-3-5-8(7)9(10)12/h2-5,11H,6H2,1H3,(H2,10,12)
InChIKeyDCHLIFNYOPRCGQ-UHFFFAOYSA-N
XLogP-0.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
CID 64629794
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
2-[(benzylamino)methyl]benzamide
CID 22341819
2-[[(2-hydroxyacetyl)amino]methyl]benzamide
CID 173201145
2-[[(4-ethylphenyl)methylamino]methyl]benzamide
CID 106899663
2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
CID 79248915
N'-hydroxy-2-[[3-(methanesulfonamido)propylamino]methyl]benzenecarboximidamide
CID 106339634
N-[(2-propan-2-ylphenyl)methyl]methanesulfonamide
CID 3329133
2-[2-(methylamino)ethyl]benzamide
CID 69094527
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400
2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide
CID 107865413
2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 65106384

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamidomethyl)benzamide?
The IUPAC name of 2-(methanesulfonamidomethyl)benzamide (CID 69038851) is 2-(methanesulfonamidomethyl)benzamide.
What is the SMILES notation for 2-(methanesulfonamidomethyl)benzamide?
The canonical SMILES for 2-(methanesulfonamidomethyl)benzamide is CS(=O)(=O)NCc1ccccc1C(N)=O.
What is the InChIKey of 2-(methanesulfonamidomethyl)benzamide?
The InChIKey is DCHLIFNYOPRCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-15(13,14)11-6-7-4-2-3-5-8(7)9(10)12/h2-5,11H,6H2,1H3,(H2,10,12).
What are the key properties of 2-(methanesulfonamidomethyl)benzamide?
2-(methanesulfonamidomethyl)benzamide has a molecular weight of 228.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamidomethyl)benzamide is sourced from PubChem (CID 69038851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).