N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C14H12N2O2S3 — CID 2738759

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1ccccc1
InChIInChI=1S/C14H12N2O2S3/c17-21(18,12-5-2-1-3-6-12)15-9-11-10-20-14(16-11)13-7-4-8-19-13/h1-8,10,15H,9H2
InChIKeyUNPTZRLLKBIVNG-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.35
Rot. Bonds5

About N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 2738759) has the molecular formula C14H12N2O2S3 and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID2738759
Molecular FormulaC14H12N2O2S3
Molecular Weight336.46 g/mol
Exact Mass336.01
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1ccccc1
InChIInChI=1S/C14H12N2O2S3/c17-21(18,12-5-2-1-3-6-12)15-9-11-10-20-14(16-11)13-7-4-8-19-13/h1-8,10,15H,9H2
InChIKeyUNPTZRLLKBIVNG-UHFFFAOYSA-N
XLogP3.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 2738759) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1csc(-c2cccs2)n1)c1ccccc1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is UNPTZRLLKBIVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S3/c17-21(18,12-5-2-1-3-6-12)15-9-11-10-20-14(16-11)13-7-4-8-19-13/h1-8,10,15H,9H2.
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2738759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).