N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide

C15H20N4O4S — CID 91967076

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1OC
InChIInChI=1S/C15H20N4O4S/c1-19(2)15-7-8-16-14(18-15)10-17-24(20,21)11-5-6-12(22-3)13(9-11)23-4/h5-9,17H,10H2,1-4H3
InChIKeyVCJRDKHUERHLFF-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.04
Rot. Bonds7

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 91967076) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID91967076
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1OC
InChIInChI=1S/C15H20N4O4S/c1-19(2)15-7-8-16-14(18-15)10-17-24(20,21)11-5-6-12(22-3)13(9-11)23-4/h5-9,17H,10H2,1-4H3
InChIKeyVCJRDKHUERHLFF-UHFFFAOYSA-N
XLogP1.04
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 91967732
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 122322701
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzenesulfonamide
CID 122322642
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 122322382
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966599
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9191426
N-[[5-amino-1-(3,4-dimethoxyphenyl)sulfonyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 23602103
3,4-dimethoxy-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253471
N-[(4-methoxypyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 167887858
3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737991
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 122322703
3,4-dimethoxy-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzenesulfonamide
CID 53021058

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide (CID 91967076) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nccc(N(C)C)n2)cc1OC.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is VCJRDKHUERHLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-19(2)15-7-8-16-14(18-15)10-17-24(20,21)11-5-6-12(22-3)13(9-11)23-4/h5-9,17H,10H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 91967076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).