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

C11H12N2O3S — CID 110719016

IUPAC3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cocn2)c1
InChIInChI=1S/C11H12N2O3S/c1-9-3-2-4-11(5-9)17(14,15)13-6-10-7-16-8-12-10/h2-5,7-8,13H,6H2,1H3
InChIKeyHTAZYGVLFBIKJR-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.46
Rot. Bonds4

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

3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide (PubChem CID 110719016) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
PubChem CID110719016
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2cocn2)c1
InChIInChI=1S/C11H12N2O3S/c1-9-3-2-4-11(5-9)17(14,15)13-6-10-7-16-8-12-10/h2-5,7-8,13H,6H2,1H3
InChIKeyHTAZYGVLFBIKJR-UHFFFAOYSA-N
XLogP1.46
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738003
4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid
CID 110719035
N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110719026
N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3680647
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733832
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 91630513
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide (CID 110719016) is 3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2cocn2)c1.
What is the InChIKey of 3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is HTAZYGVLFBIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-9-3-2-4-11(5-9)17(14,15)13-6-10-7-16-8-12-10/h2-5,7-8,13H,6H2,1H3.
What are the key properties of 3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide?
3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110719016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).