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

C16H20N2O4S — CID 56805930

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCC3CCCCO3)cc2)co1
InChIInChI=1S/C16H20N2O4S/c1-12-18-16(11-22-12)13-5-7-15(8-6-13)23(19,20)17-10-14-4-2-3-9-21-14/h5-8,11,14,17H,2-4,9-10H2,1H3
InChIKeyBVXUAIQLOIDETP-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.50
Rot. Bonds5

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

4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide (PubChem CID 56805930) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide
PubChem CID56805930
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCC3CCCCO3)cc2)co1
InChIInChI=1S/C16H20N2O4S/c1-12-18-16(11-22-12)13-5-7-15(8-6-13)23(19,20)17-10-14-4-2-3-9-21-14/h5-8,11,14,17H,2-4,9-10H2,1H3
InChIKeyBVXUAIQLOIDETP-UHFFFAOYSA-N
XLogP2.50
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
4-(furan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 168527242
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
N-[2-(azepan-1-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583158
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
[2-(4-methylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983106
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55013696
2-[4-(oxan-2-ylmethylsulfamoyl)phenyl]ethanethioamide
CID 79186393

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide (CID 56805930) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCC3CCCCO3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide?
The InChIKey is BVXUAIQLOIDETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12-18-16(11-22-12)13-5-7-15(8-6-13)23(19,20)17-10-14-4-2-3-9-21-14/h5-8,11,14,17H,2-4,9-10H2,1H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-(oxan-2-ylmethyl)benzenesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 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-(oxan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 56805930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).