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

C11H8ClFN2O4S2 — CID 43361130

IUPAC2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H8ClFN2O4S2/c12-6-1-2-9(8(13)3-6)21(18,19)15-11-14-7(5-20-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyDGOXUJDGWCVMPE-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.36
Rot. Bonds5

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

2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 43361130) has the molecular formula C11H8ClFN2O4S2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID43361130
Molecular FormulaC11H8ClFN2O4S2
Molecular Weight350.78 g/mol
Exact Mass349.96
IUPAC Name2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2F)n1
InChIInChI=1S/C11H8ClFN2O4S2/c12-6-1-2-9(8(13)3-6)21(18,19)15-11-14-7(5-20-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17)
InChIKeyDGOXUJDGWCVMPE-UHFFFAOYSA-N
XLogP2.36
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl (2-{[(4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 717529
[2-(4-Chloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1101318
Ethyl {2-[(phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetate
CID 717505
[2-(2,5-Dichloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1147620
2-[2-[(2,4-Dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545677
{2-[(Phenylsulfonyl)amino]-1,3-thiazol-4-yl}acetic acid
CID 16394950
Ethyl 2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 2799592
Ethyl (2-{[(2,3,4-trifluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 10110296
Ethyl (2-{[(2,4,6-trifluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 10110297
Ethyl (2-{[(3-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 10154542
Ethyl (2-{[(2-chloro-4-fluorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 10156542
3-chloro-4-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 11523445

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 43361130) is 2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2F)n1.
What is the InChIKey of 2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DGOXUJDGWCVMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O4S2/c12-6-1-2-9(8(13)3-6)21(18,19)15-11-14-7(5-20-11)4-10(16)17/h1-3,5H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 350.78 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43361130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).