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

C20H12ClF2N3O3S — CID 24831102

IUPACN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1c(F)cncc1F
InChIInChI=1S/C20H12ClF2N3O3S/c21-16-6-3-13(20-25-7-8-29-20)9-15(16)12-1-4-14(5-2-12)26-30(27,28)19-17(22)10-24-11-18(19)23/h1-11,26H
InChIKeyQZOLKDZSWYSALK-UHFFFAOYSA-N
MW447.85 g/mol
LogP5.14
Rot. Bonds5

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

N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide (PubChem CID 24831102) has the molecular formula C20H12ClF2N3O3S and a molecular weight of 447.85 g/mol. Its IUPAC name is N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide
PubChem CID24831102
Molecular FormulaC20H12ClF2N3O3S
Molecular Weight447.85 g/mol
Exact Mass447.03
IUPAC NameN-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1c(F)cncc1F
InChIInChI=1S/C20H12ClF2N3O3S/c21-16-6-3-13(20-25-7-8-29-20)9-15(16)12-1-4-14(5-2-12)26-30(27,28)19-17(22)10-24-11-18(19)23/h1-11,26H
InChIKeyQZOLKDZSWYSALK-UHFFFAOYSA-N
XLogP5.14
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.85
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 166628606
N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide
CID 59788609
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide
CID 59788725
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 164618909
3,5-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 11552887
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,6-difluorobenzamide
CID 11575128
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-carboxamide
CID 11582319
N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]-2,6-difluorobenzamide
CID 24775152
N-[6-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide
CID 24776093
4-chloro-2-fluoro-N-[6-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-3-pyridinyl]benzamide
CID 24776096
2,6-difluoro-N-(2'-methyl-5'-(oxazol-2-yl)biphenyl-4-yl)benzenesulfonamide
CID 24830786
3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide
CID 24830938

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide?
The IUPAC name of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide (CID 24831102) is N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide.
What is the SMILES notation for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide?
The canonical SMILES for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide is O=S(=O)(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1c(F)cncc1F.
What is the InChIKey of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide?
The InChIKey is QZOLKDZSWYSALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N3O3S/c21-16-6-3-13(20-25-7-8-29-20)9-15(16)12-1-4-14(5-2-12)26-30(27,28)19-17(22)10-24-11-18(19)23/h1-11,26H.
What are the key properties of N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide?
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide has a molecular weight of 447.85 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide is sourced from PubChem (CID 24831102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).