2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide

C5H7N3O6S3 — CID 102771756

IUPAC2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide
SMILESNS(=O)(=O)CCS(=O)(=O)c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C5H7N3O6S3/c6-17(13,14)2-1-16(11,12)5-7-3-4(15-5)8(9)10/h3H,1-2H2,(H2,6,13,14)
InChIKeyXAAYWKZCHIHLJH-UHFFFAOYSA-N
MW301.33 g/mol
LogP-0.89
Rot. Bonds5

About 2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide

2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide (PubChem CID 102771756) has the molecular formula C5H7N3O6S3 and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide
PubChem CID102771756
Molecular FormulaC5H7N3O6S3
Molecular Weight301.33 g/mol
Exact Mass300.95
IUPAC Name2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide
SMILESNS(=O)(=O)CCS(=O)(=O)c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C5H7N3O6S3/c6-17(13,14)2-1-16(11,12)5-7-3-4(15-5)8(9)10/h3H,1-2H2,(H2,6,13,14)
InChIKeyXAAYWKZCHIHLJH-UHFFFAOYSA-N
XLogP-0.89
TPSA150.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-4-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
CID 83271929
2-(1-methyl-4-nitropyrazol-3-yl)sulfonylethanesulfonamide
CID 103080489
2-(2-methyl-6-nitrophenyl)sulfonylethanesulfonamide
CID 113334102
2-[(6-methyl-3-nitro-2-pyridinyl)sulfonyl]ethanesulfonamide
CID 81136768
2-(5-nitro-1,3-thiazol-2-yl)acetic acid
CID 102771968
(5-nitrothiophen-3-yl)methanesulfonamide
CID 62083503
N-(2-methyl-2-methylsulfonylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 102770921
2-(4-chlorobut-1-enyl)-5-nitro-1,3-thiazole
CID 170498813
2-(3-methyl-2-nitrophenyl)sulfonylethanesulfonamide
CID 114041927
4-(5-nitro-1,3-thiazol-2-yl)but-3-ynamide
CID 170472706
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazol-2-amine
CID 102770919
sodium 5-nitro-2-[(2-sulfosulfanylacetyl)amino]-1,3-thiazole
CID 126460340

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide?
The IUPAC name of 2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide (CID 102771756) is 2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide.
What is the SMILES notation for 2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide?
The canonical SMILES for 2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide is NS(=O)(=O)CCS(=O)(=O)c1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide?
The InChIKey is XAAYWKZCHIHLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O6S3/c6-17(13,14)2-1-16(11,12)5-7-3-4(15-5)8(9)10/h3H,1-2H2,(H2,6,13,14).
What are the key properties of 2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide?
2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide has a molecular weight of 301.33 g/mol, XLogP of -0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]ethanesulfonamide is sourced from PubChem (CID 102771756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).