(2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide

C8H12ClN3O2S — CID 135369468

IUPAC(2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide
SMILESCC[C@](C)(c1ncc(Cl)cn1)S(N)(=O)=O
InChIInChI=1S/C8H12ClN3O2S/c1-3-8(2,15(10,13)14)7-11-4-6(9)5-12-7/h4-5H,3H2,1-2H3,(H2,10,13,14)/t8-/m1/s1
InChIKeyKCGNZTGOCWZRQL-MRVPVSSYSA-N
MW249.72 g/mol
LogP1.04
Rot. Bonds3

About (2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide

(2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide (PubChem CID 135369468) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is (2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name(2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide
PubChem CID135369468
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name(2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide
SMILESCC[C@](C)(c1ncc(Cl)cn1)S(N)(=O)=O
InChIInChI=1S/C8H12ClN3O2S/c1-3-8(2,15(10,13)14)7-11-4-6(9)5-12-7/h4-5H,3H2,1-2H3,(H2,10,13,14)/t8-/m1/s1
InChIKeyKCGNZTGOCWZRQL-MRVPVSSYSA-N
XLogP1.04
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide?
The IUPAC name of (2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide (CID 135369468) is (2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide.
What is the SMILES notation for (2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide?
The canonical SMILES for (2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide is CC[C@](C)(c1ncc(Cl)cn1)S(N)(=O)=O.
What is the InChIKey of (2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide?
The InChIKey is KCGNZTGOCWZRQL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-3-8(2,15(10,13)14)7-11-4-6(9)5-12-7/h4-5H,3H2,1-2H3,(H2,10,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide?
(2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloropyrimidin-2-yl)butane-2-sulfonamide is sourced from PubChem (CID 135369468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).