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

C21H13ClF2N2O3S — CID 24831104

IUPACN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C21H13ClF2N2O3S/c22-18-7-3-14(21-25-9-10-29-21)11-17(18)13-1-5-16(6-2-13)26-30(27,28)20-8-4-15(23)12-19(20)24/h1-12,26H
InChIKeyOXXTXAVTJKBSFI-UHFFFAOYSA-N
MW446.86 g/mol
LogP5.74
Rot. Bonds5

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

N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide (PubChem CID 24831104) has the molecular formula C21H13ClF2N2O3S and a molecular weight of 446.86 g/mol. Its IUPAC name is N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide
PubChem CID24831104
Molecular FormulaC21H13ClF2N2O3S
Molecular Weight446.86 g/mol
Exact Mass446.03
IUPAC NameN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C21H13ClF2N2O3S/c22-18-7-3-14(21-25-9-10-29-21)11-17(18)13-1-5-16(6-2-13)26-30(27,28)20-8-4-15(23)12-19(20)24/h1-12,26H
InChIKeyOXXTXAVTJKBSFI-UHFFFAOYSA-N
XLogP5.74
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.86
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide (CID 24831104) is N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is OXXTXAVTJKBSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF2N2O3S/c22-18-7-3-14(21-25-9-10-29-21)11-17(18)13-1-5-16(6-2-13)26-30(27,28)20-8-4-15(23)12-19(20)24/h1-12,26H.
What are the key properties of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide?
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 446.86 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 24831104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).