N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride

C16H22ClN3O3S — CID 174458120

IUPACN-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1oncc1N(CC1CCNCC1)S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C16H21N3O3S.ClH/c1-13-16(11-18-22-13)19(12-14-7-9-17-10-8-14)23(20,21)15-5-3-2-4-6-15;/h2-6,11,14,17H,7-10,12H2,1H3;1H
InChIKeyMSSNUKRGVWLSJB-UHFFFAOYSA-N
MW371.89 g/mol
LogP2.60
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride

N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 174458120) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID174458120
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC NameN-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1oncc1N(CC1CCNCC1)S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C16H21N3O3S.ClH/c1-13-16(11-18-22-13)19(12-14-7-9-17-10-8-14)23(20,21)15-5-3-2-4-6-15;/h2-6,11,14,17H,7-10,12H2,1H3;1H
InChIKeyMSSNUKRGVWLSJB-UHFFFAOYSA-N
XLogP2.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride (CID 174458120) is N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride is Cc1oncc1N(CC1CCNCC1)S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is MSSNUKRGVWLSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S.ClH/c1-13-16(11-18-22-13)19(12-14-7-9-17-10-8-14)23(20,21)15-5-3-2-4-6-15;/h2-6,11,14,17H,7-10,12H2,1H3;1H.
What are the key properties of N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride?
N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 371.89 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-4-yl)-N-(piperidin-4-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 174458120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).