N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide

C16H21N3O3S — CID 18539269

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CC3CCNCC3)cc2)no1
InChIInChI=1S/C16H21N3O3S/c1-12-10-16(18-22-12)19-23(20,21)15-4-2-13(3-5-15)11-14-6-8-17-9-7-14/h2-5,10,14,17H,6-9,11H2,1H3,(H,18,19)
InChIKeyOUTQAZQLWQHPRX-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.33
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide

N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide (PubChem CID 18539269) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide
PubChem CID18539269
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CC3CCNCC3)cc2)no1
InChIInChI=1S/C16H21N3O3S/c1-12-10-16(18-22-12)19-23(20,21)15-4-2-13(3-5-15)11-14-6-8-17-9-7-14/h2-5,10,14,17H,6-9,11H2,1H3,(H,18,19)
InChIKeyOUTQAZQLWQHPRX-UHFFFAOYSA-N
XLogP2.33
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
CID 57350054
CID 57350054
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-[(4-methylsulfonylphenyl)methyl]piperidine;hydrochloride
CID 22676590
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-(2-bromoethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153356564
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
N-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109058391
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]cyclohexanecarboxamide
CID 1181036

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide (CID 18539269) is N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(CC3CCNCC3)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide?
The InChIKey is OUTQAZQLWQHPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12-10-16(18-22-12)19-23(20,21)15-4-2-13(3-5-15)11-14-6-8-17-9-7-14/h2-5,10,14,17H,6-9,11H2,1H3,(H,18,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-(piperidin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 18539269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).