2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C12H11BrN2O5S2 — CID 87545579

IUPAC2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C12H11BrN2O5S2/c1-20-9-3-2-7(13)4-10(9)22(18,19)15-12-14-8(6-21-12)5-11(16)17/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyQEHAHSRGZSSSKP-UHFFFAOYSA-N
MW407.27 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 87545579) has the molecular formula C12H11BrN2O5S2 and a molecular weight of 407.27 g/mol. Its IUPAC name is 2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID87545579
Molecular FormulaC12H11BrN2O5S2
Molecular Weight407.27 g/mol
Exact Mass405.93
IUPAC Name2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C12H11BrN2O5S2/c1-20-9-3-2-7(13)4-10(9)22(18,19)15-12-14-8(6-21-12)5-11(16)17/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyQEHAHSRGZSSSKP-UHFFFAOYSA-N
XLogP2.34
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546100
2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546952
2-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 20983652
2-[2-[(3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 81264697
5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
ethyl 2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10202501
2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60708887
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624485
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
5-chloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-methoxybenzenesulfonamide
CID 108780350

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 87545579) is 2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is COc1ccc(Br)cc1S(=O)(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is QEHAHSRGZSSSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O5S2/c1-20-9-3-2-7(13)4-10(9)22(18,19)15-12-14-8(6-21-12)5-11(16)17/h2-4,6H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 407.27 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 87545579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).