3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide

C10H11N5O4S2 — CID 68649291

IUPAC3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide
SMILESNS(=O)(=O)N1C=CN(S(=O)(=O)c2cc3ccccc3[nH]2)N1
InChIInChI=1S/C10H11N5O4S2/c11-21(18,19)15-6-5-14(13-15)20(16,17)10-7-8-3-1-2-4-9(8)12-10/h1-7,12-13H,(H2,11,18,19)
InChIKeyRGFFODYLLYJSBU-UHFFFAOYSA-N
MW329.36 g/mol
LogP-0.43
Rot. Bonds3

About 3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide

3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide (PubChem CID 68649291) has the molecular formula C10H11N5O4S2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide.

Molecular Properties

Compound Name3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide
PubChem CID68649291
Molecular FormulaC10H11N5O4S2
Molecular Weight329.36 g/mol
Exact Mass329.03
IUPAC Name3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide
SMILESNS(=O)(=O)N1C=CN(S(=O)(=O)c2cc3ccccc3[nH]2)N1
InChIInChI=1S/C10H11N5O4S2/c11-21(18,19)15-6-5-14(13-15)20(16,17)10-7-8-3-1-2-4-9(8)12-10/h1-7,12-13H,(H2,11,18,19)
InChIKeyRGFFODYLLYJSBU-UHFFFAOYSA-N
XLogP-0.43
TPSA128.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-ylsulfonyl-1H-indole
CID 150324916
1H-indol-2-ylmethanesulfonamide
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CID 175739122
2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole
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3-(18F)fluoro-1H-quinolin-2-one
CID 158117840
2-(4-nitrophenyl)sulfonyl-1H-indole
CID 140573941
2-(1H-indol-2-ylsulfonylamino)acetic acid
CID 22400906
N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66547075
2-(1H-indol-2-yl)phenol;sulfuric acid
CID 155109187
2-methyl-1H-indole;hydrofluoride
CID 163912177
benzene;2-methyl-1H-indole
CID 158804583
N'-amino-1H-indole-2-carboximidamide
CID 136649421

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide?
The IUPAC name of 3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide (CID 68649291) is 3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide.
What is the SMILES notation for 3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide?
The canonical SMILES for 3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide is NS(=O)(=O)N1C=CN(S(=O)(=O)c2cc3ccccc3[nH]2)N1.
What is the InChIKey of 3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide?
The InChIKey is RGFFODYLLYJSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S2/c11-21(18,19)15-6-5-14(13-15)20(16,17)10-7-8-3-1-2-4-9(8)12-10/h1-7,12-13H,(H2,11,18,19).
What are the key properties of 3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide?
3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide has a molecular weight of 329.36 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide is sourced from PubChem (CID 68649291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).