2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide

C10H11N5O3S — CID 82202159

IUPAC2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1nnc(S(=O)(=O)c2ccccc2)c1N
InChIInChI=1S/C10H11N5O3S/c11-8(16)6-15-9(12)10(13-14-15)19(17,18)7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,11,16)
InChIKeyJAUVAECXFZDKEU-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.82
Rot. Bonds4

About 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide

2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide (PubChem CID 82202159) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide
PubChem CID82202159
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1nnc(S(=O)(=O)c2ccccc2)c1N
InChIInChI=1S/C10H11N5O3S/c11-8(16)6-15-9(12)10(13-14-15)19(17,18)7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,11,16)
InChIKeyJAUVAECXFZDKEU-UHFFFAOYSA-N
XLogP-0.82
TPSA133.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide?
The IUPAC name of 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide (CID 82202159) is 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide?
The canonical SMILES for 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide is NC(=O)Cn1nnc(S(=O)(=O)c2ccccc2)c1N.
What is the InChIKey of 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide?
The InChIKey is JAUVAECXFZDKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c11-8(16)6-15-9(12)10(13-14-15)19(17,18)7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,11,16).
What are the key properties of 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide?
2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide has a molecular weight of 281.30 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]acetamide is sourced from PubChem (CID 82202159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).