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

C16H21N3O3S — CID 120724946

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NC3CCNCC3C)cc2)co1
InChIInChI=1S/C16H21N3O3S/c1-11-9-17-8-7-15(11)19-23(20,21)14-5-3-13(4-6-14)16-10-22-12(2)18-16/h3-6,10-11,15,17,19H,7-9H2,1-2H3
InChIKeyZDQCSQSLUUWLQO-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.93
Rot. Bonds4

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

4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 120724946) 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-(3-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID120724946
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NC3CCNCC3C)cc2)co1
InChIInChI=1S/C16H21N3O3S/c1-11-9-17-8-7-15(11)19-23(20,21)14-5-3-13(4-6-14)16-10-22-12(2)18-16/h3-6,10-11,15,17,19H,7-9H2,1-2H3
InChIKeyZDQCSQSLUUWLQO-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726555
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960
N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide
CID 120724998
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pyrrolidin-3-amine
CID 79731406
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
N-[2-(cycloheptylamino)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 119987178
3,5-dimethyl-N-[(3S,4S)-3-methylpiperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 124516985
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725107

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide (CID 120724946) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NC3CCNCC3C)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is ZDQCSQSLUUWLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-9-17-8-7-15(11)19-23(20,21)14-5-3-13(4-6-14)16-10-22-12(2)18-16/h3-6,10-11,15,17,19H,7-9H2,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-(3-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.93, 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-(3-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 120724946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).