N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide

C11H13N5O3S — CID 60709326

IUPACN-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCn2cncn2)cc1
InChIInChI=1S/C11H13N5O3S/c12-20(18,19)10-3-1-9(2-4-10)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17)(H2,12,18,19)
InChIKeyQKFFCINAPNRUCH-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.05
Rot. Bonds5

About N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 60709326) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID60709326
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC NameN-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCn2cncn2)cc1
InChIInChI=1S/C11H13N5O3S/c12-20(18,19)10-3-1-9(2-4-10)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17)(H2,12,18,19)
InChIKeyQKFFCINAPNRUCH-UHFFFAOYSA-N
XLogP-0.05
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
CID 60647736
N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61130907
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
3-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenyl]propanoic acid
CID 81366961
2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 62034643
N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103789384
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
3-(1-methyl-6-oxopyridazin-3-yl)-N-(4-sulfamoylphenyl)propanamide
CID 71810800
N-[3-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676210
2-fluoro-5-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 60750143

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 60709326) is N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCn2cncn2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is QKFFCINAPNRUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c12-20(18,19)10-3-1-9(2-4-10)15-11(17)5-6-16-8-13-7-14-16/h1-4,7-8H,5-6H2,(H,15,17)(H2,12,18,19).
What are the key properties of N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 295.32 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 60709326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).