N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide

C18H20N6O2S — CID 122298773

IUPACN-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCCCC2)nc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H20N6O2S/c25-27(26,17-7-5-16(6-8-17)24-12-4-9-21-24)22-15-13-19-18(20-14-15)23-10-2-1-3-11-23/h4-9,12-14,22H,1-3,10-11H2
InChIKeyIEKXSOKMZIKXIN-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.45
Rot. Bonds5

About N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide

N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 122298773) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID122298773
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCCCC2)nc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H20N6O2S/c25-27(26,17-7-5-16(6-8-17)24-12-4-9-21-24)22-15-13-19-18(20-14-15)23-10-2-1-3-11-23/h4-9,12-14,22H,1-3,10-11H2
InChIKeyIEKXSOKMZIKXIN-UHFFFAOYSA-N
XLogP2.45
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
4-bromo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298412
4-iodo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298411
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122353295
N-(2-phenoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122302547
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122320617
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352999
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968227
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352585
2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790187
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968299

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide (CID 122298773) is N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(Nc1cnc(N2CCCCC2)nc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is IEKXSOKMZIKXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c25-27(26,17-7-5-16(6-8-17)24-12-4-9-21-24)22-15-13-19-18(20-14-15)23-10-2-1-3-11-23/h4-9,12-14,22H,1-3,10-11H2.
What are the key properties of N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 384.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 122298773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).