N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide

C17H24N4O3S — CID 131948153

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide
SMILESCOCC1CCCN(S(=O)(=O)NCc2ccccc2-n2ccnc2)C1
InChIInChI=1S/C17H24N4O3S/c1-24-13-15-5-4-9-21(12-15)25(22,23)19-11-16-6-2-3-7-17(16)20-10-8-18-14-20/h2-3,6-8,10,14-15,19H,4-5,9,11-13H2,1H3
InChIKeyKRMPJMSWLPMHKY-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.57
Rot. Bonds7

About N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide

N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide (PubChem CID 131948153) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide
PubChem CID131948153
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide
SMILESCOCC1CCCN(S(=O)(=O)NCc2ccccc2-n2ccnc2)C1
InChIInChI=1S/C17H24N4O3S/c1-24-13-15-5-4-9-21(12-15)25(22,23)19-11-16-6-2-3-7-17(16)20-10-8-18-14-20/h2-3,6-8,10,14-15,19H,4-5,9,11-13H2,1H3
InChIKeyKRMPJMSWLPMHKY-UHFFFAOYSA-N
XLogP1.57
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide (CID 131948153) is N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide is COCC1CCCN(S(=O)(=O)NCc2ccccc2-n2ccnc2)C1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide?
The InChIKey is KRMPJMSWLPMHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-24-13-15-5-4-9-21(12-15)25(22,23)19-11-16-6-2-3-7-17(16)20-10-8-18-14-20/h2-3,6-8,10,14-15,19H,4-5,9,11-13H2,1H3.
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide?
N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 131948153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).