4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide

C16H21N3O3S — CID 166287676

IUPAC4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OCc2cnc(C(C)(C)C)nc2)cc1
InChIInChI=1S/C16H21N3O3S/c1-16(2,3)15-18-9-12(10-19-15)11-22-13-5-7-14(8-6-13)23(20,21)17-4/h5-10,17H,11H2,1-4H3
InChIKeyFBLZZCICIFUUEQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.26
Rot. Bonds5

About 4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide

4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide (PubChem CID 166287676) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide
PubChem CID166287676
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OCc2cnc(C(C)(C)C)nc2)cc1
InChIInChI=1S/C16H21N3O3S/c1-16(2,3)15-18-9-12(10-19-15)11-22-13-5-7-14(8-6-13)23(20,21)17-4/h5-10,17H,11H2,1-4H3
InChIKeyFBLZZCICIFUUEQ-UHFFFAOYSA-N
XLogP2.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-methylbutoxy)-N-methylbenzenesulfonamide
CID 64574284
N-methyl-5-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 62193963
3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 27650136
CID 59436624
CID 59436624
1-(benzenesulfonyl)-4-[(4-tert-butylphenoxy)methyl]benzene
CID 2948852
1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 971008
(2-tert-butylpyrimidin-5-yl)-imino-methyl-oxo-λ6-sulfane
CID 153306286
6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599660
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N,2-dimethylpyrimidine-5-sulfonamide
CID 130948859
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
CID 106373911
4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide
CID 84692052

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide (CID 166287676) is 4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(OCc2cnc(C(C)(C)C)nc2)cc1.
What is the InChIKey of 4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide?
The InChIKey is FBLZZCICIFUUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-16(2,3)15-18-9-12(10-19-15)11-22-13-5-7-14(8-6-13)23(20,21)17-4/h5-10,17H,11H2,1-4H3.
What are the key properties of 4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide?
4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylpyrimidin-5-yl)methoxy]-N-methylbenzenesulfonamide is sourced from PubChem (CID 166287676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).