N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide

C11H13N5O3S — CID 112732641

IUPACN-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H13N5O3S/c1-7(14-11(17)10-6-13-16-15-10)8-2-4-9(5-3-8)20(12,18)19/h2-7H,1H3,(H,14,17)(H2,12,18,19)(H,13,15,16)
InChIKeyAYBCVRPHKYDERR-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.06
Rot. Bonds4

About N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide

N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 112732641) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide
PubChem CID112732641
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC NameN-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]n1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H13N5O3S/c1-7(14-11(17)10-6-13-16-15-10)8-2-4-9(5-3-8)20(12,18)19/h2-7H,1H3,(H,14,17)(H2,12,18,19)(H,13,15,16)
InChIKeyAYBCVRPHKYDERR-UHFFFAOYSA-N
XLogP-0.06
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 95317065
N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732846
2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 60668873
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334811
N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide
CID 112732798
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
3-methyl-N-[1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 51146589
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide (CID 112732641) is N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide is CC(NC(=O)c1cn[nH]n1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is AYBCVRPHKYDERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-7(14-11(17)10-6-13-16-15-10)8-2-4-9(5-3-8)20(12,18)19/h2-7H,1H3,(H,14,17)(H2,12,18,19)(H,13,15,16).
What are the key properties of N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide?
N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 295.32 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112732641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).