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

C17H15ClN2O3S — CID 171822694

IUPAC4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c(C)cc1Cl
InChIInChI=1S/C17H15ClN2O3S/c1-11-9-16(12(2)8-15(11)18)24(21,22)20-14-5-3-4-13(10-14)17-19-6-7-23-17/h3-10,20H,1-2H3
InChIKeyHMOZMZAHUPPEGL-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.41
Rot. Bonds4

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

4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 171822694) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID171822694
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c(C)cc1Cl
InChIInChI=1S/C17H15ClN2O3S/c1-11-9-16(12(2)8-15(11)18)24(21,22)20-14-5-3-4-13(10-14)17-19-6-7-23-17/h3-10,20H,1-2H3
InChIKeyHMOZMZAHUPPEGL-UHFFFAOYSA-N
XLogP4.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (CID 171822694) is 4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is HMOZMZAHUPPEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-11-9-16(12(2)8-15(11)18)24(21,22)20-14-5-3-4-13(10-14)17-19-6-7-23-17/h3-10,20H,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-[3-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 171822694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).