4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide

C17H22BrN5O2S — CID 122320377

IUPAC4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H22BrN5O2S/c1-22(2)16-15(12-19-17(20-16)23-10-4-3-5-11-23)21-26(24,25)14-8-6-13(18)7-9-14/h6-9,12,21H,3-5,10-11H2,1-2H3
InChIKeyPYNPIRJFPURPBN-UHFFFAOYSA-N
MW440.37 g/mol
LogP3.10
Rot. Bonds5

About 4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide

4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide (PubChem CID 122320377) has the molecular formula C17H22BrN5O2S and a molecular weight of 440.37 g/mol. Its IUPAC name is 4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide
PubChem CID122320377
Molecular FormulaC17H22BrN5O2S
Molecular Weight440.37 g/mol
Exact Mass439.07
IUPAC Name4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide
SMILESCN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H22BrN5O2S/c1-22(2)16-15(12-19-17(20-16)23-10-4-3-5-11-23)21-26(24,25)14-8-6-13(18)7-9-14/h6-9,12,21H,3-5,10-11H2,1-2H3
InChIKeyPYNPIRJFPURPBN-UHFFFAOYSA-N
XLogP3.10
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-4-nitrobenzenesulfonamide
CID 122320379
3,4-dichloro-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzenesulfonamide
CID 91969195
3-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-4-methylbenzenesulfonamide
CID 122320356
4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
CID 122320103
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122320326
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
CID 122320340
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-fluoro-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122320087
4-bromo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298412
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122320596
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 122320602
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122320617
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1-(2-fluorophenyl)methanesulfonamide
CID 122320338

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide (CID 122320377) is 4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide is CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide?
The InChIKey is PYNPIRJFPURPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O2S/c1-22(2)16-15(12-19-17(20-16)23-10-4-3-5-11-23)21-26(24,25)14-8-6-13(18)7-9-14/h6-9,12,21H,3-5,10-11H2,1-2H3.
What are the key properties of 4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide?
4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide has a molecular weight of 440.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 122320377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).