methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate

C17H14N2O4S2 — CID 55920700

IUPACmethyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)cc1
InChIInChI=1S/C17H14N2O4S2/c1-23-17(20)12-5-7-15(8-6-12)25(21,22)19-14-4-2-3-13(11-14)16-18-9-10-24-16/h2-11,19H,1H3
InChIKeyKRWRTXWIWUCAMQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.40
Rot. Bonds5

About methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate

methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate (PubChem CID 55920700) has the molecular formula C17H14N2O4S2 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
PubChem CID55920700
Molecular FormulaC17H14N2O4S2
Molecular Weight374.44 g/mol
Exact Mass374.04
IUPAC Namemethyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)cc1
InChIInChI=1S/C17H14N2O4S2/c1-23-17(20)12-5-7-15(8-6-12)25(21,22)19-14-4-2-3-13(11-14)16-18-9-10-24-16/h2-11,19H,1H3
InChIKeyKRWRTXWIWUCAMQ-UHFFFAOYSA-N
XLogP3.40
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(3-bromophenyl)sulfamoyl]benzoate
CID 40687836
N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide
CID 171822730
N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691960
methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate
CID 24510150
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
4-amino-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-sulfonamide
CID 61300199
methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate
CID 52838954
methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate
CID 24509913
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 66462496
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648789

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate (CID 55920700) is methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)cc1.
What is the InChIKey of methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate?
The InChIKey is KRWRTXWIWUCAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S2/c1-23-17(20)12-5-7-15(8-6-12)25(21,22)19-14-4-2-3-13(11-14)16-18-9-10-24-16/h2-11,19H,1H3.
What are the key properties of methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate?
methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate has a molecular weight of 374.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 55920700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).