N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide

C11H10N2O3S3 — CID 11358940

IUPACN-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide
SMILESO=C(CS)c1ccc(NS(=O)(=O)c2nccs2)cc1
InChIInChI=1S/C11H10N2O3S3/c14-10(7-17)8-1-3-9(4-2-8)13-19(15,16)11-12-5-6-18-11/h1-6,13,17H,7H2
InChIKeyZNOURSICQAHUIF-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.06
Rot. Bonds5

About N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide

N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide (PubChem CID 11358940) has the molecular formula C11H10N2O3S3 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide
PubChem CID11358940
Molecular FormulaC11H10N2O3S3
Molecular Weight314.41 g/mol
Exact Mass313.99
IUPAC NameN-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide
SMILESO=C(CS)c1ccc(NS(=O)(=O)c2nccs2)cc1
InChIInChI=1S/C11H10N2O3S3/c14-10(7-17)8-1-3-9(4-2-8)13-19(15,16)11-12-5-6-18-11/h1-6,13,17H,7H2
InChIKeyZNOURSICQAHUIF-UHFFFAOYSA-N
XLogP2.06
TPSA76.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide (CID 11358940) is N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide is O=C(CS)c1ccc(NS(=O)(=O)c2nccs2)cc1.
What is the InChIKey of N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide?
The InChIKey is ZNOURSICQAHUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S3/c14-10(7-17)8-1-3-9(4-2-8)13-19(15,16)11-12-5-6-18-11/h1-6,13,17H,7H2.
What are the key properties of N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide?
N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-sulfanylacetyl)phenyl]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 11358940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).