N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide

C16H13N3O3S2 — CID 59159622

IUPACN-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide
SMILESCC(=O)c1sccc1NS(=O)(=O)c1ccccc1-c1cncnc1
InChIInChI=1S/C16H13N3O3S2/c1-11(20)16-14(6-7-23-16)19-24(21,22)15-5-3-2-4-13(15)12-8-17-10-18-9-12/h2-10,19H,1H3
InChIKeyVMGRIWFYJMCDNI-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.21
Rot. Bonds5

About N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide

N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 59159622) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide
PubChem CID59159622
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC NameN-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide
SMILESCC(=O)c1sccc1NS(=O)(=O)c1ccccc1-c1cncnc1
InChIInChI=1S/C16H13N3O3S2/c1-11(20)16-14(6-7-23-16)19-24(21,22)15-5-3-2-4-13(15)12-8-17-10-18-9-12/h2-10,19H,1H3
InChIKeyVMGRIWFYJMCDNI-UHFFFAOYSA-N
XLogP3.21
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-((Z)-3-Oxo-3-thiophen-2-yl-propenylamino)-N-pyrimidin-2-yl-benzenesulfonamide
CID 1224208
Cambridge id 6610468
CID 5731235
2-[5-(5-Acetylthiophen-2-yl)-2-fluoroanilino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
CID 59145729
N-[2-[(4-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]sulfonylthiophene-3-carboxamide
CID 167928268
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1246009
5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 1247259
N-(5-methyl-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]thiophene-2-carboxamide
CID 18728193
N-[4-amino-5-(3-methylthiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
CID 21070446
N-[4-amino-5-(thiophene-2-carbonyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide
CID 21070462
(4-Amino-2-ethylsulfinyl-pyrimidin-5-yl)-(3-methyl-thiophen-2-yl)-methanone
CID 21070599
3-[4-Tert-butyl-2-(pyrimidin-5-yl)phenylsulfonamido]thiophene-2-carboxylic acid
CID 25183653
N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 52931834

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide (CID 59159622) is N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide is CC(=O)c1sccc1NS(=O)(=O)c1ccccc1-c1cncnc1.
What is the InChIKey of N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is VMGRIWFYJMCDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c1-11(20)16-14(6-7-23-16)19-24(21,22)15-5-3-2-4-13(15)12-8-17-10-18-9-12/h2-10,19H,1H3.
What are the key properties of N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide?
N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylthiophen-3-yl)-2-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 59159622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).