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

C16H13ClN2O5S — CID 10833677

IUPAC4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1Cl
InChIInChI=1S/C16H13ClN2O5S/c1-23-15-7-4-11(8-13(15)17)19-14(9-24-16(19)20)10-2-5-12(6-3-10)25(18,21)22/h2-9H,1H3,(H2,18,21,22)
InChIKeyHAHUTJAVRAAKRI-UHFFFAOYSA-N
MW380.81 g/mol
LogP2.41
Rot. Bonds4

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

4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10833677) has the molecular formula C16H13ClN2O5S and a molecular weight of 380.81 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10833677
Molecular FormulaC16H13ClN2O5S
Molecular Weight380.81 g/mol
Exact Mass380.02
IUPAC Name4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1Cl
InChIInChI=1S/C16H13ClN2O5S/c1-23-15-7-4-11(8-13(15)17)19-14(9-24-16(19)20)10-2-5-12(6-3-10)25(18,21)22/h2-9H,1H3,(H2,18,21,22)
InChIKeyHAHUTJAVRAAKRI-UHFFFAOYSA-N
XLogP2.41
TPSA104.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-Methoxy-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 10665242
N-(3-chloro-4-methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-5-oxoprolinamide
CID 2956558
1-[4-[Benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-3-(3-chloro-4-methoxyphenyl)urea
CID 127029487
N-(3-chloro-4-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycine
CID 1076831
4-[3-(3-Fluoro-4-methoxy-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 10498979
N~2~-(3-chloro-4-methoxyphenyl)-N-(4-methoxybenzyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 2278727
2-(N-Benzyl4-methylbenzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 3950574
N~2~-(3-chloro-4-methoxyphenyl)-N-(2-methoxybenzyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 1335953
1-(3-Chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 14763034
N-(3-Chloro-4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 817619
N-(3-chloro-4-methoxyphenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 999403
2,6-dichloro-4-(N-tosylbutyramido)phenyl butyrate
CID 1098499

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10833677) is 4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is COc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1Cl.
What is the InChIKey of 4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is HAHUTJAVRAAKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O5S/c1-23-15-7-4-11(8-13(15)17)19-14(9-24-16(19)20)10-2-5-12(6-3-10)25(18,21)22/h2-9H,1H3,(H2,18,21,22).
What are the key properties of 4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 380.81 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10833677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).