5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide

C17H13ClN6O2S2 — CID 58169424

IUPAC5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(-c4ccccc4)[nH]n3)n2)s1
InChIInChI=1S/C17H13ClN6O2S2/c18-11-9-20-17(13-6-7-15(27-13)28(19,25)26)22-16(11)21-14-8-12(23-24-14)10-4-2-1-3-5-10/h1-9H,(H2,19,25,26)(H2,20,21,22,23,24)
InChIKeyXLLRMFSYFYVKAS-UHFFFAOYSA-N
MW432.92 g/mol
LogP3.64
Rot. Bonds5

About 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide

5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide (PubChem CID 58169424) has the molecular formula C17H13ClN6O2S2 and a molecular weight of 432.92 g/mol. Its IUPAC name is 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
PubChem CID58169424
Molecular FormulaC17H13ClN6O2S2
Molecular Weight432.92 g/mol
Exact Mass432.02
IUPAC Name5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(-c4ccccc4)[nH]n3)n2)s1
InChIInChI=1S/C17H13ClN6O2S2/c18-11-9-20-17(13-6-7-15(27-13)28(19,25)26)22-16(11)21-14-8-12(23-24-14)10-4-2-1-3-5-10/h1-9H,(H2,19,25,26)(H2,20,21,22,23,24)
InChIKeyXLLRMFSYFYVKAS-UHFFFAOYSA-N
XLogP3.64
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide (CID 58169424) is 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(-c4ccccc4)[nH]n3)n2)s1.
What is the InChIKey of 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
The InChIKey is XLLRMFSYFYVKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2S2/c18-11-9-20-17(13-6-7-15(27-13)28(19,25)26)22-16(11)21-14-8-12(23-24-14)10-4-2-1-3-5-10/h1-9H,(H2,19,25,26)(H2,20,21,22,23,24).
What are the key properties of 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide?
5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide has a molecular weight of 432.92 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 58169424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).