N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide

C9H10ClF3N2O2S — CID 103943751

IUPACN-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1cccnc1Cl
InChIInChI=1S/C9H10ClF3N2O2S/c10-8-7(3-1-5-14-8)15-18(16,17)6-2-4-9(11,12)13/h1,3,5,15H,2,4,6H2
InChIKeyRNHQVEZJVKGKSI-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.82
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 103943751) has the molecular formula C9H10ClF3N2O2S and a molecular weight of 302.71 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID103943751
Molecular FormulaC9H10ClF3N2O2S
Molecular Weight302.71 g/mol
Exact Mass302.01
IUPAC NameN-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1cccnc1Cl
InChIInChI=1S/C9H10ClF3N2O2S/c10-8-7(3-1-5-14-8)15-18(16,17)6-2-4-9(11,12)13/h1,3,5,15H,2,4,6H2
InChIKeyRNHQVEZJVKGKSI-UHFFFAOYSA-N
XLogP2.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.82
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-3-pyridylamine
CID 80528
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
N-(3-phenylamino-4-pyridinyl)trifluoromethanesulfonamide
CID 11472579
6-chloro-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 2683449
6-chloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 9115009
N-[3-(2-chlorophenylamino)-4-pyridinyl]trifluoromethanesulfonamide
CID 44474131
N-[3-(3-Chlorophenylamino)-4-pyridinyl]trifluoromethanesulfonamide
CID 44474132
N-[3-(4-Chlorophenylamino)-4-pyridinyl]trifluoromethanesulfonamide
CID 44474133
N-[3-(2-chlorophenylamino)-4-pyridinyl]methanesulfonamide
CID 44475844
N-[3-(3-Chlorophenylamino)-4-pyridinyl]methanesulfonamide
CID 44475845
N-(2-chloro-5-pyridin-4-yl-3-pyridinyl)methanesulfonamide
CID 155537016
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 103943751) is N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is RNHQVEZJVKGKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S/c10-8-7(3-1-5-14-8)15-18(16,17)6-2-4-9(11,12)13/h1,3,5,15H,2,4,6H2.
What are the key properties of N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 302.71 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 103943751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).