N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide

C10H12ClFN2O2S — CID 65032177

IUPACN-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(NCC(Cl)C1CC1)c1cncc(F)c1
InChIInChI=1S/C10H12ClFN2O2S/c11-10(7-1-2-7)6-14-17(15,16)9-3-8(12)4-13-5-9/h3-5,7,10,14H,1-2,6H2
InChIKeyRTLHROGGVRGHTQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.52
Rot. Bonds5

About N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide

N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide (PubChem CID 65032177) has the molecular formula C10H12ClFN2O2S and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide
PubChem CID65032177
Molecular FormulaC10H12ClFN2O2S
Molecular Weight278.74 g/mol
Exact Mass278.03
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide
SMILESO=S(=O)(NCC(Cl)C1CC1)c1cncc(F)c1
InChIInChI=1S/C10H12ClFN2O2S/c11-10(7-1-2-7)6-14-17(15,16)9-3-8(12)4-13-5-9/h3-5,7,10,14H,1-2,6H2
InChIKeyRTLHROGGVRGHTQ-UHFFFAOYSA-N
XLogP1.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide (CID 65032177) is N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide is O=S(=O)(NCC(Cl)C1CC1)c1cncc(F)c1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is RTLHROGGVRGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2S/c11-10(7-1-2-7)6-14-17(15,16)9-3-8(12)4-13-5-9/h3-5,7,10,14H,1-2,6H2.
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide?
N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 278.74 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 65032177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).