N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide

C20H22N4O2S — CID 122356520

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide
SMILESCc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H22N4O2S/c1-14-19(15(2)22-20(21-14)24-11-5-6-12-24)23-27(25,26)18-10-9-16-7-3-4-8-17(16)13-18/h3-4,7-10,13,23H,5-6,11-12H2,1-2H3
InChIKeyGYGUOBXLQQUQAW-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.65
Rot. Bonds4

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide (PubChem CID 122356520) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide
PubChem CID122356520
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide
SMILESCc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H22N4O2S/c1-14-19(15(2)22-20(21-14)24-11-5-6-12-24)23-27(25,26)18-10-9-16-7-3-4-8-17(16)13-18/h3-4,7-10,13,23H,5-6,11-12H2,1-2H3
InChIKeyGYGUOBXLQQUQAW-UHFFFAOYSA-N
XLogP3.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122356712
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 71807329
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356729
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968636
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]naphthalene-2-sulfonamide
CID 126468259
N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]naphthalene-2-sulfonamide
CID 122299656
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]naphthalene-2-sulfonamide
CID 4826340
4-methyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 53093497
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 122356980
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636178

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide (CID 122356520) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide is Cc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide?
The InChIKey is GYGUOBXLQQUQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-19(15(2)22-20(21-14)24-11-5-6-12-24)23-27(25,26)18-10-9-16-7-3-4-8-17(16)13-18/h3-4,7-10,13,23H,5-6,11-12H2,1-2H3.
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 122356520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).