2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide

C14H13N3O2S2 — CID 175768630

IUPAC2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide
SMILESNS(=O)(=O)C(Cc1ccccc1)c1csc2cncnc12
InChIInChI=1S/C14H13N3O2S2/c15-21(18,19)13(6-10-4-2-1-3-5-10)11-8-20-12-7-16-9-17-14(11)12/h1-5,7-9,13H,6H2,(H2,15,18,19)
InChIKeyPGENOAWRLVQBAN-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.26
Rot. Bonds4

About 2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide

2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide (PubChem CID 175768630) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide
PubChem CID175768630
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide
SMILESNS(=O)(=O)C(Cc1ccccc1)c1csc2cncnc12
InChIInChI=1S/C14H13N3O2S2/c15-21(18,19)13(6-10-4-2-1-3-5-10)11-8-20-12-7-16-9-17-14(11)12/h1-5,7-9,13H,6H2,(H2,15,18,19)
InChIKeyPGENOAWRLVQBAN-UHFFFAOYSA-N
XLogP2.26
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-phenyl-2-sulfamoylpropanoic acid
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2-phenyl-1-pyrimidin-5-ylethane-1,1-diamine
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2-amino-3-phenylpropanoic acid;7H-purine
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CID 83977590
7-cyclopropylthieno[3,2-d]pyrimidine
CID 174703681
4-(benzylsulfonylmethyl)pyrimidine-5-carboxylic acid
CID 102974078
1-(2-phenylmethoxyphenyl)propane-1-sulfonamide
CID 22356826
[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene
CID 175219227
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CID 141414949

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide?
The IUPAC name of 2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide (CID 175768630) is 2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide.
What is the SMILES notation for 2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide?
The canonical SMILES for 2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide is NS(=O)(=O)C(Cc1ccccc1)c1csc2cncnc12.
What is the InChIKey of 2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide?
The InChIKey is PGENOAWRLVQBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c15-21(18,19)13(6-10-4-2-1-3-5-10)11-8-20-12-7-16-9-17-14(11)12/h1-5,7-9,13H,6H2,(H2,15,18,19).
What are the key properties of 2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide?
2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide is sourced from PubChem (CID 175768630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).