2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide

C7H11ClN4O2S — CID 79075880

IUPAC2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCc1cnc(Cl)nc1NCCS(N)(=O)=O
InChIInChI=1S/C7H11ClN4O2S/c1-5-4-11-7(8)12-6(5)10-2-3-15(9,13)14/h4H,2-3H2,1H3,(H2,9,13,14)(H,10,11,12)
InChIKeyNMJLAYVXMLSJFQ-UHFFFAOYSA-N
MW250.71 g/mol
LogP0.14
Rot. Bonds4

About 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide

2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 79075880) has the molecular formula C7H11ClN4O2S and a molecular weight of 250.71 g/mol. Its IUPAC name is 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID79075880
Molecular FormulaC7H11ClN4O2S
Molecular Weight250.71 g/mol
Exact Mass250.03
IUPAC Name2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCc1cnc(Cl)nc1NCCS(N)(=O)=O
InChIInChI=1S/C7H11ClN4O2S/c1-5-4-11-7(8)12-6(5)10-2-3-15(9,13)14/h4H,2-3H2,1H3,(H2,9,13,14)(H,10,11,12)
InChIKeyNMJLAYVXMLSJFQ-UHFFFAOYSA-N
XLogP0.14
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide (CID 79075880) is 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide is Cc1cnc(Cl)nc1NCCS(N)(=O)=O.
What is the InChIKey of 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is NMJLAYVXMLSJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O2S/c1-5-4-11-7(8)12-6(5)10-2-3-15(9,13)14/h4H,2-3H2,1H3,(H2,9,13,14)(H,10,11,12).
What are the key properties of 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide?
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 250.71 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 79075880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).