2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide

C15H16ClN7O2S — CID 58235733

IUPAC2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccnn2C)ncc1Cl
InChIInChI=1S/C15H16ClN7O2S/c1-17-26(24,25)12-6-4-3-5-11(12)20-14-10(16)9-18-15(22-14)21-13-7-8-19-23(13)2/h3-9,17H,1-2H3,(H2,18,20,21,22)
InChIKeyYOMHVSVKOIYDPL-UHFFFAOYSA-N
MW393.86 g/mol
LogP2.26
Rot. Bonds6

About 2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide

2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide (PubChem CID 58235733) has the molecular formula C15H16ClN7O2S and a molecular weight of 393.86 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
PubChem CID58235733
Molecular FormulaC15H16ClN7O2S
Molecular Weight393.86 g/mol
Exact Mass393.08
IUPAC Name2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccnn2C)ncc1Cl
InChIInChI=1S/C15H16ClN7O2S/c1-17-26(24,25)12-6-4-3-5-11(12)20-14-10(16)9-18-15(22-14)21-13-7-8-19-23(13)2/h3-9,17H,1-2H3,(H2,18,20,21,22)
InChIKeyYOMHVSVKOIYDPL-UHFFFAOYSA-N
XLogP2.26
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide (CID 58235733) is 2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccnn2C)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide?
The InChIKey is YOMHVSVKOIYDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O2S/c1-17-26(24,25)12-6-4-3-5-11(12)20-14-10(16)9-18-15(22-14)21-13-7-8-19-23(13)2/h3-9,17H,1-2H3,(H2,18,20,21,22).
What are the key properties of 2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide?
2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide has a molecular weight of 393.86 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 58235733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).