2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide

C9H13N3O3S — CID 10847811

IUPAC2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13N3O3S/c10-5-9(13)12-6-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5-6,10H2,(H,12,13)(H2,11,14,15)
InChIKeyCYJOHVGVSWHAAE-UHFFFAOYSA-N
MW243.29 g/mol
LogP-1.09
Rot. Bonds4

About 2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide

2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 10847811) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID10847811
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNCC(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H13N3O3S/c10-5-9(13)12-6-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5-6,10H2,(H,12,13)(H2,11,14,15)
InChIKeyCYJOHVGVSWHAAE-UHFFFAOYSA-N
XLogP-1.09
TPSA115.28 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 ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 10847811) is 2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide is NCC(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is CYJOHVGVSWHAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-5-9(13)12-6-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5-6,10H2,(H,12,13)(H2,11,14,15).
What are the key properties of 2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 243.29 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 10847811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).