2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide

C19H15N3O2S2 — CID 9267128

IUPAC2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H15N3O2S2/c1-13-7-5-6-10-17(13)26(23,24)22-18-15-11-16(14-8-3-2-4-9-14)25-19(15)21-12-20-18/h2-12H,1H3,(H,20,21,22)
InChIKeyWJXJNIJTWAJVRT-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.47
Rot. Bonds4

About 2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide

2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide (PubChem CID 9267128) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide
PubChem CID9267128
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H15N3O2S2/c1-13-7-5-6-10-17(13)26(23,24)22-18-15-11-16(14-8-3-2-4-9-14)25-19(15)21-12-20-18/h2-12H,1H3,(H,20,21,22)
InChIKeyWJXJNIJTWAJVRT-UHFFFAOYSA-N
XLogP4.47
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide (CID 9267128) is 2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
The InChIKey is WJXJNIJTWAJVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-13-7-5-6-10-17(13)26(23,24)22-18-15-11-16(14-8-3-2-4-9-14)25-19(15)21-12-20-18/h2-12H,1H3,(H,20,21,22).
What are the key properties of 2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide has a molecular weight of 381.48 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 9267128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).