N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C19H15N5O6S2 — CID 16803789

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H15N5O6S2/c25-17(12-24-18(26)15-4-1-2-5-16(15)32(24,29)30)22-13-6-8-14(9-7-13)31(27,28)23-19-20-10-3-11-21-19/h1-11H,12H2,(H,22,25)(H,20,21,23)
InChIKeyCYASNYGPDSFPMG-UHFFFAOYSA-N
MW473.49 g/mol
LogP1.06
Rot. Bonds6

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 16803789) has the molecular formula C19H15N5O6S2 and a molecular weight of 473.49 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID16803789
Molecular FormulaC19H15N5O6S2
Molecular Weight473.49 g/mol
Exact Mass473.05
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H15N5O6S2/c25-17(12-24-18(26)15-4-1-2-5-16(15)32(24,29)30)22-13-6-8-14(9-7-13)31(27,28)23-19-20-10-3-11-21-19/h1-11H,12H2,(H,22,25)(H,20,21,23)
InChIKeyCYASNYGPDSFPMG-UHFFFAOYSA-N
XLogP1.06
TPSA155.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Ipsapirone
CID 56971
Revospirone
CID 72024
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 6
CID 53319075
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylacetamide
CID 1218957
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide
CID 2915170
2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 3148017
2-phenyl-N-(4-(2-(4-sulfamoylphenylamino)pyrimidin-4-yl)phenyl)acetamide
CID 11568801
4-[[1-(4-aminobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 46226667
4-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 46226710
N-[4-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)phenyl]pyrimidine-4-carboxamide
CID 46853682

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 16803789) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is CYASNYGPDSFPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O6S2/c25-17(12-24-18(26)15-4-1-2-5-16(15)32(24,29)30)22-13-6-8-14(9-7-13)31(27,28)23-19-20-10-3-11-21-19/h1-11H,12H2,(H,22,25)(H,20,21,23).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 473.49 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16803789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).