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2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide

C10H16ClN3O3S — CID 114155588

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C10H16ClN3O3S/c1-9(2,10(3,4)15)14-18(16,17)7-5-12-8(11)13-6-7/h5-6,14-15H,1-4H3
InChIKeyMUGNJVKQBDRSGO-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.96
Rot. Bonds4

About 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide

2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 114155588) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide
PubChem CID114155588
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C10H16ClN3O3S/c1-9(2,10(3,4)15)14-18(16,17)7-5-12-8(11)13-6-7/h5-6,14-15H,1-4H3
InChIKeyMUGNJVKQBDRSGO-UHFFFAOYSA-N
XLogP0.96
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide (CID 114155588) is 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide is CC(C)(O)C(C)(C)NS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is MUGNJVKQBDRSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-9(2,10(3,4)15)14-18(16,17)7-5-12-8(11)13-6-7/h5-6,14-15H,1-4H3.
What are the key properties of 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 293.78 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 114155588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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