methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

C12H11BrN2O4S2 — CID 43624485

IUPACmethyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C12H11BrN2O4S2/c1-19-11(16)6-9-7-20-12(14-9)15-21(17,18)10-4-2-3-8(13)5-10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyZNQVDTUTJDHSEN-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.42
Rot. Bonds5

About methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 43624485) has the molecular formula C12H11BrN2O4S2 and a molecular weight of 391.27 g/mol. Its IUPAC name is methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID43624485
Molecular FormulaC12H11BrN2O4S2
Molecular Weight391.27 g/mol
Exact Mass389.93
IUPAC Namemethyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C12H11BrN2O4S2/c1-19-11(16)6-9-7-20-12(14-9)15-21(17,18)10-4-2-3-8(13)5-10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyZNQVDTUTJDHSEN-UHFFFAOYSA-N
XLogP2.42
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509
2-[2-[(3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 81264697
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624515
2-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 20983652
2-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545579
ethyl 2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10202501
methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 114465423
N'-(3-bromophenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816800
methyl 2-[2-(5-bromo-2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574470
methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 55014446

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 43624485) is methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NS(=O)(=O)c2cccc(Br)c2)n1.
What is the InChIKey of methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZNQVDTUTJDHSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4S2/c1-19-11(16)6-9-7-20-12(14-9)15-21(17,18)10-4-2-3-8(13)5-10/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 391.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43624485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).