N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide

C9H10N6O3S — CID 113226196

IUPACN-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)c2cn[nH]n2)c1
InChIInChI=1S/C9H10N6O3S/c10-19(17,18)14-7-3-1-2-6(4-7)12-9(16)8-5-11-15-13-8/h1-5,14H,(H,12,16)(H2,10,17,18)(H,11,13,15)
InChIKeyXKKORUPYQZFKMN-UHFFFAOYSA-N
MW282.29 g/mol
LogP-0.33
Rot. Bonds4

About N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide

N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide (PubChem CID 113226196) has the molecular formula C9H10N6O3S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide
PubChem CID113226196
Molecular FormulaC9H10N6O3S
Molecular Weight282.29 g/mol
Exact Mass282.05
IUPAC NameN-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)c2cn[nH]n2)c1
InChIInChI=1S/C9H10N6O3S/c10-19(17,18)14-7-3-1-2-6(4-7)12-9(16)8-5-11-15-13-8/h1-5,14H,(H,12,16)(H2,10,17,18)(H,11,13,15)
InChIKeyXKKORUPYQZFKMN-UHFFFAOYSA-N
XLogP-0.33
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide
CID 63283245
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide
CID 56785425
methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55559964
N-[3-[[(S)-benzylsulfinyl]methyl]phenyl]-2H-triazole-4-carboxamide
CID 95770554
N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 112733236
3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729874
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide
CID 104741346
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767

Frequently Asked Questions

What is the IUPAC name of N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide (CID 113226196) is N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide is NS(=O)(=O)Nc1cccc(NC(=O)c2cn[nH]n2)c1.
What is the InChIKey of N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is XKKORUPYQZFKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3S/c10-19(17,18)14-7-3-1-2-6(4-7)12-9(16)8-5-11-15-13-8/h1-5,14H,(H,12,16)(H2,10,17,18)(H,11,13,15).
What are the key properties of N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide?
N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 282.29 g/mol, XLogP of -0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 113226196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).