4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid

C13H14N2O4S2 — CID 80655396

IUPAC4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C13H14N2O4S2/c16-12(17)8-4-5-10-9-20-13(14-10)15-21(18,19)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2,(H,14,15)(H,16,17)
InChIKeyUSFFZQBVYNOWRI-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.35
Rot. Bonds7

About 4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid

4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80655396) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid
PubChem CID80655396
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C13H14N2O4S2/c16-12(17)8-4-5-10-9-20-13(14-10)15-21(18,19)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2,(H,14,15)(H,16,17)
InChIKeyUSFFZQBVYNOWRI-UHFFFAOYSA-N
XLogP2.35
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655544
11-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]undecanoic acid
CID 108789111
4-[2-(cyanomethylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655446
2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]butanedioic acid
CID 108789088
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 18322950
2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 24701768
4-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655489
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205
4-[2-(3-methylsulfonylpropanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656276
4-[2-(1H-pyrrole-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655849

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid (CID 80655396) is 4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is USFFZQBVYNOWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c16-12(17)8-4-5-10-9-20-13(14-10)15-21(18,19)11-6-2-1-3-7-11/h1-3,6-7,9H,4-5,8H2,(H,14,15)(H,16,17).
What are the key properties of 4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid?
4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 326.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80655396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).