N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H13ClN2O3S — CID 4988738

IUPACN-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c1-8-12(9(2)18-15-8)19(16,17)14-7-10-4-3-5-11(13)6-10/h3-6,14H,7H2,1-2H3
InChIKeyMZJUQMVGIXVJGE-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.42
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 4988738) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID4988738
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC NameN-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c1-8-12(9(2)18-15-8)19(16,17)14-7-10-4-3-5-11(13)6-10/h3-6,14H,7H2,1-2H3
InChIKeyMZJUQMVGIXVJGE-UHFFFAOYSA-N
XLogP2.42
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738173
N-benzyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2741492
3,5-dimethyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-4-sulfonamide
CID 8061730
N-[(2-chlorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 20855570
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
CID 3861893
3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 5165886
N-{[3-(2-chlorophenyl)-5-isoxazolyl]methyl}benzenesulfonamide
CID 1480798
2-chloro-N-[(3-phenyl-5-isoxazolyl)methyl]benzenesulfonamide
CID 1484381
4-chloro-N-[(3-phenyl-5-isoxazolyl)methyl]benzenesulfonamide
CID 1484382
N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3235717
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 3241534
3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 53323476

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 4988738) is N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MZJUQMVGIXVJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-8-12(9(2)18-15-8)19(16,17)14-7-10-4-3-5-11(13)6-10/h3-6,14H,7H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 4988738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).