N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide

C8H9F2N3O2S2 — CID 114166912

IUPACN-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)CN)s1
InChIInChI=1S/C8H9F2N3O2S2/c9-8(10,4-12)5-13-17(14,15)7-2-1-6(3-11)16-7/h1-2,13H,4-5,12H2
InChIKeyOBHWVLCKBSCCIQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.49
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide

N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 114166912) has the molecular formula C8H9F2N3O2S2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide
PubChem CID114166912
Molecular FormulaC8H9F2N3O2S2
Molecular Weight281.31 g/mol
Exact Mass281.01
IUPAC NameN-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)CN)s1
InChIInChI=1S/C8H9F2N3O2S2/c9-8(10,4-12)5-13-17(14,15)7-2-1-6(3-11)16-7/h1-2,13H,4-5,12H2
InChIKeyOBHWVLCKBSCCIQ-UHFFFAOYSA-N
XLogP0.49
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide (CID 114166912) is N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCC(F)(F)CN)s1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is OBHWVLCKBSCCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2S2/c9-8(10,4-12)5-13-17(14,15)7-2-1-6(3-11)16-7/h1-2,13H,4-5,12H2.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 281.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 114166912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).