N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide

C10H11N5O3S — CID 854429

IUPACN-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1
InChIInChI=1S/C10H11N5O3S/c1-8(16)13-9-2-4-10(5-3-9)19(17,18)14-15-6-11-12-7-15/h2-7,14H,1H3,(H,13,16)
InChIKeySJUOVBQXUQFFOY-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.17
Rot. Bonds4

About N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide

N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide (PubChem CID 854429) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide
PubChem CID854429
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC NameN-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1
InChIInChI=1S/C10H11N5O3S/c1-8(16)13-9-2-4-10(5-3-9)19(17,18)14-15-6-11-12-7-15/h2-7,14H,1H3,(H,13,16)
InChIKeySJUOVBQXUQFFOY-UHFFFAOYSA-N
XLogP0.17
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

pentyl N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]carbamate
CID 404502
propyl N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]carbamate
CID 1718040
butyl 4-[(4H-1,2,4-triazol-4-ylamino)sulfonyl]phenylcarbamate
CID 1718041
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2467951
N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3451317
N-[4-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 4849410
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4878909
4-(2-Oxo-pyrrolidin-1-yl)-benzenesulfonic acid
CID 12004733
N-(4-sulfamoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2265973
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2059467
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2200722
ethyl 4-[(4H-1,2,4-triazol-4-ylamino)sulfonyl]phenylcarbamate
CID 404503

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide (CID 854429) is N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1.
What is the InChIKey of N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide?
The InChIKey is SJUOVBQXUQFFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-8(16)13-9-2-4-10(5-3-9)19(17,18)14-15-6-11-12-7-15/h2-7,14H,1H3,(H,13,16).
What are the key properties of N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide?
N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide has a molecular weight of 281.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 854429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).