N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide

C17H24N4O4S — CID 91967743

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)c1
InChIInChI=1S/C17H24N4O4S/c1-5-24-14-7-8-15(25-6-2)16(11-14)26(22,23)19-12-13-9-10-18-17(20-13)21(3)4/h7-11,19H,5-6,12H2,1-4H3
InChIKeyCOZBWUWNHWUGDM-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.82
Rot. Bonds9

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide (PubChem CID 91967743) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide
PubChem CID91967743
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)c1
InChIInChI=1S/C17H24N4O4S/c1-5-24-14-7-8-15(25-6-2)16(11-14)26(22,23)19-12-13-9-10-18-17(20-13)21(3)4/h7-11,19H,5-6,12H2,1-4H3
InChIKeyCOZBWUWNHWUGDM-UHFFFAOYSA-N
XLogP1.82
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,4-diethoxybenzenesulfonamide
CID 122354494
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967732
2-(dimethylamino)-4-[(dimethylsulfamoylamino)methyl]pyrimidine
CID 122354229
2,4-diethoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353321
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-fluorobenzenesulfonamide
CID 91967734
N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
CID 30365980
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 91967754
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 122354460
5-bromo-2-ethoxy-N-(isoquinolin-1-ylmethyl)benzenesulfonamide
CID 17440973
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967753
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 122354453
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122354462

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide (CID 91967743) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide is CCOc1ccc(OCC)c(S(=O)(=O)NCc2ccnc(N(C)C)n2)c1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide?
The InChIKey is COZBWUWNHWUGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-5-24-14-7-8-15(25-6-2)16(11-14)26(22,23)19-12-13-9-10-18-17(20-13)21(3)4/h7-11,19H,5-6,12H2,1-4H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2,5-diethoxybenzenesulfonamide is sourced from PubChem (CID 91967743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).