methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate

C16H13N3O4S2 — CID 75449190

IUPACmethyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cncnc1-c1ccccc1
InChIInChI=1S/C16H13N3O4S2/c1-23-16(20)15-13(7-8-24-15)25(21,22)19-12-9-17-10-18-14(12)11-5-3-2-4-6-11/h2-10,19H,1H3
InChIKeyIKWFCLBAYCZCPK-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.79
Rot. Bonds5

About methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 75449190) has the molecular formula C16H13N3O4S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID75449190
Molecular FormulaC16H13N3O4S2
Molecular Weight375.43 g/mol
Exact Mass375.03
IUPAC Namemethyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1cncnc1-c1ccccc1
InChIInChI=1S/C16H13N3O4S2/c1-23-16(20)15-13(7-8-24-15)25(21,22)19-12-9-17-10-18-14(12)11-5-3-2-4-6-11/h2-10,19H,1H3
InChIKeyIKWFCLBAYCZCPK-UHFFFAOYSA-N
XLogP2.79
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 3-[(2-phenoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 24563164
methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
CID 43047412
2,5-difluoro-N-(4-phenylpyrimidin-5-yl)benzenesulfonamide
CID 75449193
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)thiophene-2-carboxylate
CID 3780569
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
CID 61394313
methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 60534296
methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 65427405
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate (CID 75449190) is methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1cncnc1-c1ccccc1.
What is the InChIKey of methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is IKWFCLBAYCZCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S2/c1-23-16(20)15-13(7-8-24-15)25(21,22)19-12-9-17-10-18-14(12)11-5-3-2-4-6-11/h2-10,19H,1H3.
What are the key properties of methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-phenylpyrimidin-5-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 75449190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).