N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide

C9H9F3N2O2S — CID 66730687

IUPACN-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1cccnc1
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)8(3-4-8)14-17(15,16)7-2-1-5-13-6-7/h1-2,5-6,14H,3-4H2
InChIKeyVNEPICNAOJCDQU-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.45
Rot. Bonds3

About N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide

N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (PubChem CID 66730687) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
PubChem CID66730687
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1cccnc1
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)8(3-4-8)14-17(15,16)7-2-1-5-13-6-7/h1-2,5-6,14H,3-4H2
InChIKeyVNEPICNAOJCDQU-UHFFFAOYSA-N
XLogP1.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (CID 66730687) is N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide is O=S(=O)(NC1(C(F)(F)F)CC1)c1cccnc1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The InChIKey is VNEPICNAOJCDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c10-9(11,12)8(3-4-8)14-17(15,16)7-2-1-5-13-6-7/h1-2,5-6,14H,3-4H2.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide has a molecular weight of 266.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 66730687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).