6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C10H10ClF3N2O2S — CID 54983763

IUPAC6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)nc1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H10ClF3N2O2S/c11-9-4-3-8(5-15-9)19(17,18)16(7-1-2-7)6-10(12,13)14/h3-5,7H,1-2,6H2
InChIKeyCCQCGOCLYUSIEY-UHFFFAOYSA-N
MW314.72 g/mol
LogP2.45
Rot. Bonds4

About 6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 54983763) has the molecular formula C10H10ClF3N2O2S and a molecular weight of 314.72 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID54983763
Molecular FormulaC10H10ClF3N2O2S
Molecular Weight314.72 g/mol
Exact Mass314.01
IUPAC Name6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)nc1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H10ClF3N2O2S/c11-9-4-3-8(5-15-9)19(17,18)16(7-1-2-7)6-10(12,13)14/h3-5,7H,1-2,6H2
InChIKeyCCQCGOCLYUSIEY-UHFFFAOYSA-N
XLogP2.45
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-cyclopropyl-N-ethylpyridine-3-sulfonamide
CID 43243310
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54983714
6-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61046307
6-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 18229386
N-cyclopropyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
CID 75448162
3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61384835
3,4-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554887
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554922
6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide
CID 60722058
5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80735432

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 54983763) is 6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is O=S(=O)(c1ccc(Cl)nc1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is CCQCGOCLYUSIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2S/c11-9-4-3-8(5-15-9)19(17,18)16(7-1-2-7)6-10(12,13)14/h3-5,7H,1-2,6H2.
What are the key properties of 6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 314.72 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 54983763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).