N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C12H9N3O2S3 — CID 110440548

IUPACN-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cccs1
InChIInChI=1S/C12H9N3O2S3/c16-20(17,11-4-2-6-18-11)15-12-14-10(8-19-12)9-3-1-5-13-7-9/h1-8H,(H,14,15)
InChIKeyVUBXKWORANZRJR-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.07
Rot. Bonds4

About N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 110440548) has the molecular formula C12H9N3O2S3 and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID110440548
Molecular FormulaC12H9N3O2S3
Molecular Weight323.42 g/mol
Exact Mass322.99
IUPAC NameN-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cccs1
InChIInChI=1S/C12H9N3O2S3/c16-20(17,11-4-2-6-18-11)15-12-14-10(8-19-12)9-3-1-5-13-7-9/h1-8H,(H,14,15)
InChIKeyVUBXKWORANZRJR-UHFFFAOYSA-N
XLogP3.07
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110446641
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
CID 155557473
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 5310371
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-(4-phenyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23098780
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2359647

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 110440548) is N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cccs1.
What is the InChIKey of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is VUBXKWORANZRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S3/c16-20(17,11-4-2-6-18-11)15-12-14-10(8-19-12)9-3-1-5-13-7-9/h1-8H,(H,14,15).
What are the key properties of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 110440548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).