N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide

C18H26N4O3S — CID 131924296

IUPACN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(-n2cccn2)cc1S(=O)(=O)NCCN1CCCCC1CO
InChIInChI=1S/C18H26N4O3S/c1-15-6-7-16(22-11-4-8-19-22)13-18(15)26(24,25)20-9-12-21-10-3-2-5-17(21)14-23/h4,6-8,11,13,17,20,23H,2-3,5,9-10,12,14H2,1H3
InChIKeyJEESECXELWEMIZ-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.31
Rot. Bonds7

About N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide (PubChem CID 131924296) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide
PubChem CID131924296
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(-n2cccn2)cc1S(=O)(=O)NCCN1CCCCC1CO
InChIInChI=1S/C18H26N4O3S/c1-15-6-7-16(22-11-4-8-19-22)13-18(15)26(24,25)20-9-12-21-10-3-2-5-17(21)14-23/h4,6-8,11,13,17,20,23H,2-3,5,9-10,12,14H2,1H3
InChIKeyJEESECXELWEMIZ-UHFFFAOYSA-N
XLogP1.31
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 131942720
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide
CID 131948129
[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
2-methyl-5-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135087684
N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
CID 63250287
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
[1-[3-(3,4-dimethylphenoxy)propyl]azepan-2-yl]methanol
CID 116637387
2,4,5-trimethyl-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 56765829
4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205191
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111797049
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide (CID 131924296) is N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide is Cc1ccc(-n2cccn2)cc1S(=O)(=O)NCCN1CCCCC1CO.
What is the InChIKey of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is JEESECXELWEMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-15-6-7-16(22-11-4-8-19-22)13-18(15)26(24,25)20-9-12-21-10-3-2-5-17(21)14-23/h4,6-8,11,13,17,20,23H,2-3,5,9-10,12,14H2,1H3.
What are the key properties of N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide?
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 131924296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).