2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C11H7ClN4O5S2 — CID 87545781

IUPAC2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)c2ccc(Cl)c3nonc23)n1
InChIInChI=1S/C11H7ClN4O5S2/c12-6-1-2-7(10-9(6)14-21-15-10)23(19,20)16-11-13-5(4-22-11)3-8(17)18/h1-2,4H,3H2,(H,13,16)(H,17,18)
InChIKeyPSYDJSQZQFRIFY-UHFFFAOYSA-N
MW374.79 g/mol
LogP1.76
Rot. Bonds5

About 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 87545781) has the molecular formula C11H7ClN4O5S2 and a molecular weight of 374.79 g/mol. Its IUPAC name is 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID87545781
Molecular FormulaC11H7ClN4O5S2
Molecular Weight374.79 g/mol
Exact Mass373.95
IUPAC Name2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)c2ccc(Cl)c3nonc23)n1
InChIInChI=1S/C11H7ClN4O5S2/c12-6-1-2-7(10-9(6)14-21-15-10)23(19,20)16-11-13-5(4-22-11)3-8(17)18/h1-2,4H,3H2,(H,13,16)(H,17,18)
InChIKeyPSYDJSQZQFRIFY-UHFFFAOYSA-N
XLogP1.76
TPSA135.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.79
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546952
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 103099582
2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546100
2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 24701768
2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545579
2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16777075
2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80644266
2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 75176643

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 87545781) is 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NS(=O)(=O)c2ccc(Cl)c3nonc23)n1.
What is the InChIKey of 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PSYDJSQZQFRIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O5S2/c12-6-1-2-7(10-9(6)14-21-15-10)23(19,20)16-11-13-5(4-22-11)3-8(17)18/h1-2,4H,3H2,(H,13,16)(H,17,18).
What are the key properties of 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 374.79 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 87545781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).