5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide

C12H15N5O3S — CID 2718265

IUPAC5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide
SMILESCCCNC(=O)c1n[nH]nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N5O3S/c1-2-8-13-12(18)10-11(15-17-14-10)16-21(19,20)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,18)(H2,14,15,16,17)
InChIKeyZYZFSIWZDKBKDC-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.75
Rot. Bonds6

About 5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide

5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide (PubChem CID 2718265) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide
PubChem CID2718265
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide
SMILESCCCNC(=O)c1n[nH]nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N5O3S/c1-2-8-13-12(18)10-11(15-17-14-10)16-21(19,20)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,18)(H2,14,15,16,17)
InChIKeyZYZFSIWZDKBKDC-UHFFFAOYSA-N
XLogP0.75
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-N-propylpyridine-2-carboxamide
CID 118572876
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 166376567
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
CID 109057932
1-(benzenesulfonamido)-3-ethyl-1-methylurea
CID 75524147
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide?
The IUPAC name of 5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide (CID 2718265) is 5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide is CCCNC(=O)c1n[nH]nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide?
The InChIKey is ZYZFSIWZDKBKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-2-8-13-12(18)10-11(15-17-14-10)16-21(19,20)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,18)(H2,14,15,16,17).
What are the key properties of 5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide?
5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-N-propyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 2718265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).