3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C12H13ClN2O3S — CID 47359133

IUPAC3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccc(Cl)c2)oc1C
InChIInChI=1S/C12H13ClN2O3S/c1-8-9(2)18-12(15-8)7-14-19(16,17)11-5-3-4-10(13)6-11/h3-6,14H,7H2,1-2H3
InChIKeyLFDCCPHXZGIDHO-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.42
Rot. Bonds4

About 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 47359133) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID47359133
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccc(Cl)c2)oc1C
InChIInChI=1S/C12H13ClN2O3S/c1-8-9(2)18-12(15-8)7-14-19(16,17)11-5-3-4-10(13)6-11/h3-6,14H,7H2,1-2H3
InChIKeyLFDCCPHXZGIDHO-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 47359133) is 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2cccc(Cl)c2)oc1C.
What is the InChIKey of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is LFDCCPHXZGIDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-8-9(2)18-12(15-8)7-14-19(16,17)11-5-3-4-10(13)6-11/h3-6,14H,7H2,1-2H3.
What are the key properties of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide 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 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47359133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).