2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C12H10Cl2N2O4S2 — CID 87545677

IUPAC2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C12H10Cl2N2O4S2/c1-6-2-7(13)3-9(14)11(6)22(19,20)16-12-15-8(5-21-12)4-10(17)18/h2-3,5H,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyQQAWWBMJXQIQCV-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.19
Rot. Bonds5

About 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 87545677) has the molecular formula C12H10Cl2N2O4S2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID87545677
Molecular FormulaC12H10Cl2N2O4S2
Molecular Weight381.26 g/mol
Exact Mass379.95
IUPAC Name2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C12H10Cl2N2O4S2/c1-6-2-7(13)3-9(14)11(6)22(19,20)16-12-15-8(5-21-12)4-10(17)18/h2-3,5H,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyQQAWWBMJXQIQCV-UHFFFAOYSA-N
XLogP3.19
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

[2-(4-Chloro-benzenesulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1101318
Ethyl 2-[2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 2799591
Ethyl 2-[2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 2799594
2-[2-[(5-Fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43167172
2-[2-[(2-Chloro-4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43361125
2-[2-[[2-(Trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546298
2-[2-[(4-Fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
2-[2-[(4-Chloro-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43361130
2-[2-[(2-Chloro-5-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 105399621
Methyl 2-(2-(4-chlorophenylsulfonamido)thiazol-4-yl)acetate
CID 17571583
Ethyl (2-{[(2,4-dichlorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)acetate
CID 3863162
2-[2-[(2-Chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 9880706

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 87545677) is 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is QQAWWBMJXQIQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O4S2/c1-6-2-7(13)3-9(14)11(6)22(19,20)16-12-15-8(5-21-12)4-10(17)18/h2-3,5H,4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 381.26 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 87545677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).