2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide

C8H12ClN3O3S — CID 65107231

IUPAC2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H12ClN3O3S/c1-8(2,13)5-12-16(14,15)6-3-10-7(9)11-4-6/h3-4,12-13H,5H2,1-2H3
InChIKeyFWNNFWUBJLCBDO-UHFFFAOYSA-N
MW265.72 g/mol
LogP0.18
Rot. Bonds4

About 2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide

2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide (PubChem CID 65107231) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide
PubChem CID65107231
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H12ClN3O3S/c1-8(2,13)5-12-16(14,15)6-3-10-7(9)11-4-6/h3-4,12-13H,5H2,1-2H3
InChIKeyFWNNFWUBJLCBDO-UHFFFAOYSA-N
XLogP0.18
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide
CID 114155588
2-chloro-N-propylpyrimidine-5-sulfonamide
CID 43456271
2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide
CID 107856808
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
4-(chloromethyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 69020554
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113165
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
methyl 4-[(2-chloropyrimidin-5-yl)sulfonylamino]butanoate
CID 61249062
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide (CID 65107231) is 2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide is CC(C)(O)CNS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide?
The InChIKey is FWNNFWUBJLCBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c1-8(2,13)5-12-16(14,15)6-3-10-7(9)11-4-6/h3-4,12-13H,5H2,1-2H3.
What are the key properties of 2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide?
2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide has a molecular weight of 265.72 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 65107231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).