(4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide

C10H10N5O3S- — CID 1420483

IUPAC(4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide
SMILESCC(=O)Nc1ccc(S(=O)(=O)[N-]n2cnnc2)cc1
InChIInChI=1S/C10H10N5O3S/c1-8(16)13-9-2-4-10(5-3-9)19(17,18)14-15-6-11-12-7-15/h2-7H,1H3,(H,13,16)/q-1
InChIKeyRXOTUVXMDLARQL-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.76
Rot. Bonds4

About (4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide

(4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide (PubChem CID 1420483) has the molecular formula C10H10N5O3S- and a molecular weight of 280.29 g/mol. Its IUPAC name is (4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide.

Molecular Properties

Compound Name(4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide
PubChem CID1420483
Molecular FormulaC10H10N5O3S-
Molecular Weight280.29 g/mol
Exact Mass280.05
IUPAC Name(4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide
SMILESCC(=O)Nc1ccc(S(=O)(=O)[N-]n2cnnc2)cc1
InChIInChI=1S/C10H10N5O3S/c1-8(16)13-9-2-4-10(5-3-9)19(17,18)14-15-6-11-12-7-15/h2-7H,1H3,(H,13,16)/q-1
InChIKeyRXOTUVXMDLARQL-UHFFFAOYSA-N
XLogP0.76
TPSA108.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide?
The IUPAC name of (4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide (CID 1420483) is (4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide.
What is the SMILES notation for (4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide?
The canonical SMILES for (4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide is CC(=O)Nc1ccc(S(=O)(=O)[N-]n2cnnc2)cc1.
What is the InChIKey of (4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide?
The InChIKey is RXOTUVXMDLARQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N5O3S/c1-8(16)13-9-2-4-10(5-3-9)19(17,18)14-15-6-11-12-7-15/h2-7H,1H3,(H,13,16)/q-1.
What are the key properties of (4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide?
(4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide has a molecular weight of 280.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl)sulfonyl-(1,2,4-triazol-4-yl)azanide is sourced from PubChem (CID 1420483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).