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

C22H16Cl2N2O4S — CID 10672207

IUPAC2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide
SMILESCOc1ccccc1-c1cc(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)no1
InChIInChI=1S/C22H16Cl2N2O4S/c1-29-20-5-3-2-4-17(20)21-13-19(25-30-21)14-6-9-16(10-7-14)26-31(27,28)22-12-15(23)8-11-18(22)24/h2-13,26H,1H3
InChIKeyHNCMWWZLNSXUEQ-UHFFFAOYSA-N
MW475.35 g/mol
LogP6.12
Rot. Bonds6

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

2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide (PubChem CID 10672207) has the molecular formula C22H16Cl2N2O4S and a molecular weight of 475.35 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide
PubChem CID10672207
Molecular FormulaC22H16Cl2N2O4S
Molecular Weight475.35 g/mol
Exact Mass474.02
IUPAC Name2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide
SMILESCOc1ccccc1-c1cc(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)no1
InChIInChI=1S/C22H16Cl2N2O4S/c1-29-20-5-3-2-4-17(20)21-13-19(25-30-21)14-6-9-16(10-7-14)26-31(27,28)22-12-15(23)8-11-18(22)24/h2-13,26H,1H3
InChIKeyHNCMWWZLNSXUEQ-UHFFFAOYSA-N
XLogP6.12
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.35
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide (CID 10672207) is 2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide is COc1ccccc1-c1cc(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)no1.
What is the InChIKey of 2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide?
The InChIKey is HNCMWWZLNSXUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O4S/c1-29-20-5-3-2-4-17(20)21-13-19(25-30-21)14-6-9-16(10-7-14)26-31(27,28)22-12-15(23)8-11-18(22)24/h2-13,26H,1H3.
What are the key properties of 2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide has a molecular weight of 475.35 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 10672207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).