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

C17H15ClN2O4S — CID 19608718

IUPAC4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(-c2noc(C)c2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C17H15ClN2O4S/c1-10-16(11-3-6-13(7-4-11)25(19,21)22)17(20-24-10)12-5-8-15(23-2)14(18)9-12/h3-9H,1-2H3,(H2,19,21,22)
InChIKeySGSQPCIYEWRYQK-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.63
Rot. Bonds4

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

4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 19608718) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID19608718
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(-c2noc(C)c2-c2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C17H15ClN2O4S/c1-10-16(11-3-6-13(7-4-11)25(19,21)22)17(20-24-10)12-5-8-15(23-2)14(18)9-12/h3-9H,1-2H3,(H2,19,21,22)
InChIKeySGSQPCIYEWRYQK-UHFFFAOYSA-N
XLogP3.63
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide (CID 19608718) is 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide is COc1ccc(-c2noc(C)c2-c2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is SGSQPCIYEWRYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-10-16(11-3-6-13(7-4-11)25(19,21)22)17(20-24-10)12-5-8-15(23-2)14(18)9-12/h3-9H,1-2H3,(H2,19,21,22).
What are the key properties of 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide?
4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 378.84 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 19608718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).