2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide

C9H8ClF3N2O2S — CID 106211293

IUPAC2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1ccnc(Cl)c1
InChIInChI=1S/C9H8ClF3N2O2S/c10-7-5-6(1-4-14-7)18(16,17)15-8(2-3-8)9(11,12)13/h1,4-5,15H,2-3H2
InChIKeyOWBZRKMXOPDYJD-UHFFFAOYSA-N
MW300.69 g/mol
LogP2.11
Rot. Bonds3

About 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide

2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide (PubChem CID 106211293) has the molecular formula C9H8ClF3N2O2S and a molecular weight of 300.69 g/mol. Its IUPAC name is 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
PubChem CID106211293
Molecular FormulaC9H8ClF3N2O2S
Molecular Weight300.69 g/mol
Exact Mass299.99
IUPAC Name2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1ccnc(Cl)c1
InChIInChI=1S/C9H8ClF3N2O2S/c10-7-5-6(1-4-14-7)18(16,17)15-8(2-3-8)9(11,12)13/h1,4-5,15H,2-3H2
InChIKeyOWBZRKMXOPDYJD-UHFFFAOYSA-N
XLogP2.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.69
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
CID 113491040
3-(aminomethyl)-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218648
N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide
CID 118302169
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208577
4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106214877
2-chloro-N-(3-methyloxan-3-yl)pyridine-4-sulfonamide
CID 114113555
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106211284
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106209132
3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106217621
2-chloro-N-(5-fluoro-2-pyridinyl)pyridine-4-sulfonamide
CID 65482049

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide (CID 106211293) is 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide is O=S(=O)(NC1(C(F)(F)F)CC1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide?
The InChIKey is OWBZRKMXOPDYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2S/c10-7-5-6(1-4-14-7)18(16,17)15-8(2-3-8)9(11,12)13/h1,4-5,15H,2-3H2.
What are the key properties of 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide?
2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide has a molecular weight of 300.69 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide is sourced from PubChem (CID 106211293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).