2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide

C12H15ClN2O3S — CID 70592744

IUPAC2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCCCC1COC(c2ccc(Cl)c(S(N)(=O)=O)c2)=N1
InChIInChI=1S/C12H15ClN2O3S/c1-2-3-9-7-18-12(15-9)8-4-5-10(13)11(6-8)19(14,16)17/h4-6,9H,2-3,7H2,1H3,(H2,14,16,17)
InChIKeyGWKQKVIQZDZGOD-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.93
Rot. Bonds4

About 2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide

2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 70592744) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID70592744
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCCCC1COC(c2ccc(Cl)c(S(N)(=O)=O)c2)=N1
InChIInChI=1S/C12H15ClN2O3S/c1-2-3-9-7-18-12(15-9)8-4-5-10(13)11(6-8)19(14,16)17/h4-6,9H,2-3,7H2,1H3,(H2,14,16,17)
InChIKeyGWKQKVIQZDZGOD-UHFFFAOYSA-N
XLogP1.93
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide (CID 70592744) is 2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide is CCCC1COC(c2ccc(Cl)c(S(N)(=O)=O)c2)=N1.
What is the InChIKey of 2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is GWKQKVIQZDZGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-2-3-9-7-18-12(15-9)8-4-5-10(13)11(6-8)19(14,16)17/h4-6,9H,2-3,7H2,1H3,(H2,14,16,17).
What are the key properties of 2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide?
2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 302.78 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-propyl-4,5-dihydro-1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70592744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).