4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide

C16H21N3O3S — CID 120726555

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NC3CCCNC3C)cc2)co1
InChIInChI=1S/C16H21N3O3S/c1-11-15(4-3-9-17-11)19-23(20,21)14-7-5-13(6-8-14)16-10-22-12(2)18-16/h5-8,10-11,15,17,19H,3-4,9H2,1-2H3
InChIKeyPELDIBTVLXFORL-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.07
Rot. Bonds4

About 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide

4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 120726555) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID120726555
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NC3CCCNC3C)cc2)co1
InChIInChI=1S/C16H21N3O3S/c1-11-15(4-3-9-17-11)19-23(20,21)14-7-5-13(6-8-14)16-10-22-12(2)18-16/h5-8,10-11,15,17,19H,3-4,9H2,1-2H3
InChIKeyPELDIBTVLXFORL-UHFFFAOYSA-N
XLogP2.07
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724946
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
4-butan-2-yl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726766
N-(2-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 120726763
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
N,N-dimethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]benzamide
CID 120726525
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide;hydrochloride
CID 120722238
N-[2-(cycloheptylamino)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 119987178

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide (CID 120726555) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NC3CCCNC3C)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is PELDIBTVLXFORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-15(4-3-9-17-11)19-23(20,21)14-7-5-13(6-8-14)16-10-22-12(2)18-16/h5-8,10-11,15,17,19H,3-4,9H2,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 120726555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).