N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide

C13H12F2N4O2S — CID 174878508

IUPACN-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1nccnc1Nc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C13H12F2N4O2S/c14-10-4-1-8(7-11(10)15)18-12-13(17-6-5-16-12)19-22(20,21)9-2-3-9/h1,4-7,9H,2-3H2,(H,16,18)(H,17,19)
InChIKeyHLQFEXXRKDQWSA-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.40
Rot. Bonds5

About N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide

N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide (PubChem CID 174878508) has the molecular formula C13H12F2N4O2S and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide
PubChem CID174878508
Molecular FormulaC13H12F2N4O2S
Molecular Weight326.33 g/mol
Exact Mass326.06
IUPAC NameN-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1nccnc1Nc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C13H12F2N4O2S/c14-10-4-1-8(7-11(10)15)18-12-13(17-6-5-16-12)19-22(20,21)9-2-3-9/h1,4-7,9H,2-3H2,(H,16,18)(H,17,19)
InChIKeyHLQFEXXRKDQWSA-UHFFFAOYSA-N
XLogP2.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide (CID 174878508) is N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide is O=S(=O)(Nc1nccnc1Nc1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide?
The InChIKey is HLQFEXXRKDQWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O2S/c14-10-4-1-8(7-11(10)15)18-12-13(17-6-5-16-12)19-22(20,21)9-2-3-9/h1,4-7,9H,2-3H2,(H,16,18)(H,17,19).
What are the key properties of N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide?
N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide has a molecular weight of 326.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluoroanilino)pyrazin-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 174878508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).