N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide

C19H22N6O2S — CID 122352585

IUPACN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C19H22N6O2S/c1-15-13-16(23-19(22-15)24-10-2-3-11-24)14-21-28(26,27)18-7-5-17(6-8-18)25-12-4-9-20-25/h4-9,12-13,21H,2-3,10-11,14H2,1H3
InChIKeyWEIPMSPLLMPINH-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.05
Rot. Bonds6

About N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 122352585) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID122352585
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C19H22N6O2S/c1-15-13-16(23-19(22-15)24-10-2-3-11-24)14-21-28(26,27)18-7-5-17(6-8-18)25-12-4-9-20-25/h4-9,12-13,21H,2-3,10-11,14H2,1H3
InChIKeyWEIPMSPLLMPINH-UHFFFAOYSA-N
XLogP2.05
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide with MolForge

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Related Compounds

N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352999
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122353295
4-ethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352319
3-fluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352741
3-chloro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352331
4-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3,5-dinitrobenzenesulfonamide
CID 122352617
2-fluoro-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352328
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122352971
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]naphthalene-1-sulfonamide
CID 122352966
2-methoxy-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353004
4-ethoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967537
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122298773

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 122352585) is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(-n3cccn3)cc2)nc(N2CCCC2)n1.
What is the InChIKey of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is WEIPMSPLLMPINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-15-13-16(23-19(22-15)24-10-2-3-11-24)14-21-28(26,27)18-7-5-17(6-8-18)25-12-4-9-20-25/h4-9,12-13,21H,2-3,10-11,14H2,1H3.
What are the key properties of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 122352585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).