4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide

C23H17N5O2S2 — CID 21009377

IUPAC4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C23H17N5O2S2/c29-32(30,28-20-8-4-5-13-24-20)18-11-9-17(10-12-18)27-22-21-19(16-6-2-1-3-7-16)14-31-23(21)26-15-25-22/h1-15H,(H,24,28)(H,25,26,27)
InChIKeyHWCDQDAHGNOWBZ-UHFFFAOYSA-N
MW459.56 g/mol
LogP5.30
Rot. Bonds6

About 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide

4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 21009377) has the molecular formula C23H17N5O2S2 and a molecular weight of 459.56 g/mol. Its IUPAC name is 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID21009377
Molecular FormulaC23H17N5O2S2
Molecular Weight459.56 g/mol
Exact Mass459.08
IUPAC Name4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C23H17N5O2S2/c29-32(30,28-20-8-4-5-13-24-20)18-11-9-17(10-12-18)27-22-21-19(16-6-2-1-3-7-16)14-31-23(21)26-15-25-22/h1-15H,(H,24,28)(H,25,26,27)
InChIKeyHWCDQDAHGNOWBZ-UHFFFAOYSA-N
XLogP5.30
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.56
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21009510
[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]arsonic acid
CID 112501316
N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide
CID 16805620
4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 21010204
5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2420107
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
propan-2-yl 5-methyl-4-[4-(pyridin-2-ylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 21009381
4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 21011137
2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
CID 17499231
N-(4-butoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635936
N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 21010054
5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 26470392

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide (CID 21009377) is 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is HWCDQDAHGNOWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S2/c29-32(30,28-20-8-4-5-13-24-20)18-11-9-17(10-12-18)27-22-21-19(16-6-2-1-3-7-16)14-31-23(21)26-15-25-22/h1-15H,(H,24,28)(H,25,26,27).
What are the key properties of 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 459.56 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 21009377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).