6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide

C16H18F2N4O3S — CID 155058996

IUPAC6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide
SMILESCC1(C)C(c2ccc(S(N)(=O)=O)cn2)C1c1nc(C2CC(F)(F)C2)no1
InChIInChI=1S/C16H18F2N4O3S/c1-15(2)11(10-4-3-9(7-20-10)26(19,23)24)12(15)14-21-13(22-25-14)8-5-16(17,18)6-8/h3-4,7-8,11-12H,5-6H2,1-2H3,(H2,19,23,24)
InChIKeySSOXAJCMKKQKJD-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.53
Rot. Bonds4

About 6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide

6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide (PubChem CID 155058996) has the molecular formula C16H18F2N4O3S and a molecular weight of 384.41 g/mol. Its IUPAC name is 6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide
PubChem CID155058996
Molecular FormulaC16H18F2N4O3S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Name6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide
SMILESCC1(C)C(c2ccc(S(N)(=O)=O)cn2)C1c1nc(C2CC(F)(F)C2)no1
InChIInChI=1S/C16H18F2N4O3S/c1-15(2)11(10-4-3-9(7-20-10)26(19,23)24)12(15)14-21-13(22-25-14)8-5-16(17,18)6-8/h3-4,7-8,11-12H,5-6H2,1-2H3,(H2,19,23,24)
InChIKeySSOXAJCMKKQKJD-UHFFFAOYSA-N
XLogP2.53
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide?
The IUPAC name of 6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide (CID 155058996) is 6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide is CC1(C)C(c2ccc(S(N)(=O)=O)cn2)C1c1nc(C2CC(F)(F)C2)no1.
What is the InChIKey of 6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide?
The InChIKey is SSOXAJCMKKQKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O3S/c1-15(2)11(10-4-3-9(7-20-10)26(19,23)24)12(15)14-21-13(22-25-14)8-5-16(17,18)6-8/h3-4,7-8,11-12H,5-6H2,1-2H3,(H2,19,23,24).
What are the key properties of 6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide?
6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide has a molecular weight of 384.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 155058996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).