2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide

C8H12ClN3O3S — CID 43456403

IUPAC2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H12ClN3O3S/c1-6(5-15-2)12-16(13,14)7-3-10-8(9)11-4-7/h3-4,6,12H,5H2,1-2H3
InChIKeyLDGXLJWBUMGKPZ-UHFFFAOYSA-N
MW265.72 g/mol
LogP0.44
Rot. Bonds5

About 2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide

2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide (PubChem CID 43456403) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
PubChem CID43456403
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H12ClN3O3S/c1-6(5-15-2)12-16(13,14)7-3-10-8(9)11-4-7/h3-4,6,12H,5H2,1-2H3
InChIKeyLDGXLJWBUMGKPZ-UHFFFAOYSA-N
XLogP0.44
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
CID 61051308
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
CID 61051901
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
2-hydrazinyl-N-(4-methoxybutan-2-yl)pyrimidine-5-sulfonamide
CID 64605702
2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide (CID 43456403) is 2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide is COCC(C)NS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is LDGXLJWBUMGKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c1-6(5-15-2)12-16(13,14)7-3-10-8(9)11-4-7/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 265.72 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43456403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).