5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

C17H13N3O2S4 — CID 2738763

IUPAC5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C17H13N3O2S4/c21-26(22,16-7-6-14(25-16)13-4-1-2-8-18-13)19-10-12-11-24-17(20-12)15-5-3-9-23-15/h1-9,11,19H,10H2
InChIKeyKFSYGLQKFMRODJ-UHFFFAOYSA-N
MW419.58 g/mol
LogP4.47
Rot. Bonds6

About 5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 2738763) has the molecular formula C17H13N3O2S4 and a molecular weight of 419.58 g/mol. Its IUPAC name is 5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID2738763
Molecular FormulaC17H13N3O2S4
Molecular Weight419.58 g/mol
Exact Mass418.99
IUPAC Name5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C17H13N3O2S4/c21-26(22,16-7-6-14(25-16)13-4-1-2-8-18-13)19-10-12-11-24-17(20-12)15-5-3-9-23-15/h1-9,11,19H,10H2
InChIKeyKFSYGLQKFMRODJ-UHFFFAOYSA-N
XLogP4.47
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (CID 2738763) is 5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1csc(-c2cccs2)n1)c1ccc(-c2ccccn2)s1.
What is the InChIKey of 5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is KFSYGLQKFMRODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S4/c21-26(22,16-7-6-14(25-16)13-4-1-2-8-18-13)19-10-12-11-24-17(20-12)15-5-3-9-23-15/h1-9,11,19H,10H2.
What are the key properties of 5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 419.58 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2738763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).