3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide

C20H14ClFN4O3S — CID 90563166

IUPAC3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14ClFN4O3S/c21-16-12-15(5-6-17(16)22)30(27,28)26-18-4-2-1-3-14(18)11-19-24-20(25-29-19)13-7-9-23-10-8-13/h1-10,12,26H,11H2
InChIKeyMIWZPNKEGXNGSW-UHFFFAOYSA-N
MW444.88 g/mol
LogP4.32
Rot. Bonds6

About 3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide

3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 90563166) has the molecular formula C20H14ClFN4O3S and a molecular weight of 444.88 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
PubChem CID90563166
Molecular FormulaC20H14ClFN4O3S
Molecular Weight444.88 g/mol
Exact Mass444.05
IUPAC Name3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14ClFN4O3S/c21-16-12-15(5-6-17(16)22)30(27,28)26-18-4-2-1-3-14(18)11-19-24-20(25-29-19)13-7-9-23-10-8-13/h1-10,12,26H,11H2
InChIKeyMIWZPNKEGXNGSW-UHFFFAOYSA-N
XLogP4.32
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.88
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-trimethyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563136
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 90563140
4-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562701
3-fluoro-4-methoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563985
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
2,3,4-trifluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563080
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90562953
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
N-[3-methyl-4-[[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]sulfamoyl]phenyl]propanamide
CID 90563219
4-methyl-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332728
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90563966

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide (CID 90563166) is 3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is MIWZPNKEGXNGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O3S/c21-16-12-15(5-6-17(16)22)30(27,28)26-18-4-2-1-3-14(18)11-19-24-20(25-29-19)13-7-9-23-10-8-13/h1-10,12,26H,11H2.
What are the key properties of 3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 444.88 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 90563166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).