N-[4-(aminomethyl)phenyl]sulfonylacetamide

C9H12N2O3S — CID 12720450

IUPACN-[4-(aminomethyl)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C9H12N2O3S/c1-7(12)11-15(13,14)9-4-2-8(6-10)3-5-9/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyAYVWPNSCBIHRDV-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.03
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]sulfonylacetamide

N-[4-(aminomethyl)phenyl]sulfonylacetamide (PubChem CID 12720450) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]sulfonylacetamide
PubChem CID12720450
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-[4-(aminomethyl)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C9H12N2O3S/c1-7(12)11-15(13,14)9-4-2-8(6-10)3-5-9/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyAYVWPNSCBIHRDV-UHFFFAOYSA-N
XLogP-0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)phenyl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mafenide
CID 3998
Mafenide Acetate
CID 25590
Mafenide Hydrochloride
CID 67313
4-(2-Aminoethyl)benzenesulfonamide
CID 169682
N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
N-Ethyl-p-toluenesulfonamide
CID 6637
N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N-benzyl-
CID 95801
Benzenesulfonamide, N-benzyl-
CID 95236
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]sulfonylacetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]sulfonylacetamide (CID 12720450) is N-[4-(aminomethyl)phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]sulfonylacetamide?
The InChIKey is AYVWPNSCBIHRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-7(12)11-15(13,14)9-4-2-8(6-10)3-5-9/h2-5H,6,10H2,1H3,(H,11,12).
What are the key properties of N-[4-(aminomethyl)phenyl]sulfonylacetamide?
N-[4-(aminomethyl)phenyl]sulfonylacetamide has a molecular weight of 228.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]sulfonylacetamide is sourced from PubChem (CID 12720450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).