N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide

C15H20N4O5S — CID 122319346

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1
InChIInChI=1S/C15H20N4O5S/c1-19(2)14-11(9-16-15(17-14)24-5)18-25(20,21)10-6-7-12(22-3)13(8-10)23-4/h6-9,18H,1-5H3
InChIKeyPBORFYMXJQADNM-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.37
Rot. Bonds7

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 122319346) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide
PubChem CID122319346
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1
InChIInChI=1S/C15H20N4O5S/c1-19(2)14-11(9-16-15(17-14)24-5)18-25(20,21)10-6-7-12(22-3)13(8-10)23-4/h6-9,18H,1-5H3
InChIKeyPBORFYMXJQADNM-UHFFFAOYSA-N
XLogP1.37
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-4-fluorobenzenesulfonamide
CID 122319347
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122319541
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1-methylimidazole-4-sulfonamide
CID 122319559
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 122319807
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
N-(2,4-diethoxypyrimidin-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 122304353
N-(2,4-dimethoxypyrimidin-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122304201
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 35282374
N-(2,4-dimethoxypyrimidin-5-yl)-3-nitrobenzenesulfonamide
CID 122304240

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide (CID 122319346) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide is COc1ncc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is PBORFYMXJQADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c1-19(2)14-11(9-16-15(17-14)24-5)18-25(20,21)10-6-7-12(22-3)13(8-10)23-4/h6-9,18H,1-5H3.
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 368.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 122319346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).