4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide

C10H16ClN3O3S — CID 107602665

IUPAC4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)CCCCCl)n1
InChIInChI=1S/C10H16ClN3O3S/c1-8-7-9(17-2)13-10(12-8)14-18(15,16)6-4-3-5-11/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyOXBUHIROQJSUTQ-UHFFFAOYSA-N
MW293.78 g/mol
LogP1.55
Rot. Bonds7

About 4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide

4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide (PubChem CID 107602665) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide
PubChem CID107602665
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)CCCCCl)n1
InChIInChI=1S/C10H16ClN3O3S/c1-8-7-9(17-2)13-10(12-8)14-18(15,16)6-4-3-5-11/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyOXBUHIROQJSUTQ-UHFFFAOYSA-N
XLogP1.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106089355
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
CID 107605578
N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106089579
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 106704205
2-amino-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605455
4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601166
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-2-sulfonamide
CID 107603209
N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104599523

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide (CID 107602665) is 4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide is COc1cc(C)nc(NS(=O)(=O)CCCCCl)n1.
What is the InChIKey of 4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide?
The InChIKey is OXBUHIROQJSUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-8-7-9(17-2)13-10(12-8)14-18(15,16)6-4-3-5-11/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide?
4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide has a molecular weight of 293.78 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 107602665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).