5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide

C9H7BrClF3N2O2S — CID 106211284

IUPAC5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H7BrClF3N2O2S/c10-5-3-6(7(11)15-4-5)19(17,18)16-8(1-2-8)9(12,13)14/h3-4,16H,1-2H2
InChIKeyCGFDEFPAMFTZJH-UHFFFAOYSA-N
MW379.59 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide

5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (PubChem CID 106211284) has the molecular formula C9H7BrClF3N2O2S and a molecular weight of 379.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
PubChem CID106211284
Molecular FormulaC9H7BrClF3N2O2S
Molecular Weight379.59 g/mol
Exact Mass377.91
IUPAC Name5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H7BrClF3N2O2S/c10-5-3-6(7(11)15-4-5)19(17,18)16-8(1-2-8)9(12,13)14/h3-4,16H,1-2H2
InChIKeyCGFDEFPAMFTZJH-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 52.87
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

5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217981
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313207
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 114009086
5-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-sulfonamide
CID 107573401
2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
CID 106211293
5-bromo-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114749964
5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
CID 115672191
5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 61300253
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952
3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218763

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (CID 106211284) is 5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide is O=S(=O)(NC1(C(F)(F)F)CC1)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The InChIKey is CGFDEFPAMFTZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF3N2O2S/c10-5-3-6(7(11)15-4-5)19(17,18)16-8(1-2-8)9(12,13)14/h3-4,16H,1-2H2.
What are the key properties of 5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide has a molecular weight of 379.59 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106211284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).