4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide

C17H22N4O4S — CID 91966800

IUPAC4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N4O4S/c1-2-25-14-3-5-15(6-4-14)26(22,23)19-13-16-18-8-7-17(20-16)21-9-11-24-12-10-21/h3-8,19H,2,9-13H2,1H3
InChIKeyXZKPDIBCANEOEL-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.19
Rot. Bonds7

About 4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide

4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide (PubChem CID 91966800) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
PubChem CID91966800
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N4O4S/c1-2-25-14-3-5-15(6-4-14)26(22,23)19-13-16-18-8-7-17(20-16)21-9-11-24-12-10-21/h3-8,19H,2,9-13H2,1H3
InChIKeyXZKPDIBCANEOEL-UHFFFAOYSA-N
XLogP1.19
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122318932
4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967537
2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318910
3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 72718132
4-ethoxy-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 71807436
4-cyano-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122317623
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 72718077
1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318923
(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide
CID 122318920
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966599
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
4-butoxy-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075509

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide (CID 91966800) is 4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is XZKPDIBCANEOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-2-25-14-3-5-15(6-4-14)26(22,23)19-13-16-18-8-7-17(20-16)21-9-11-24-12-10-21/h3-8,19H,2,9-13H2,1H3.
What are the key properties of 4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91966800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).