2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide

C13H11ClF2N2O2S — CID 61051043

IUPAC2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cccnc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C13H11ClF2N2O2S/c1-8(9-4-5-10(15)11(16)7-9)18-21(19,20)12-3-2-6-17-13(12)14/h2-8,18H,1H3
InChIKeyLXUFUDMJQPGXMZ-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide

2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 61051043) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID61051043
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cccnc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C13H11ClF2N2O2S/c1-8(9-4-5-10(15)11(16)7-9)18-21(19,20)12-3-2-6-17-13(12)14/h2-8,18H,1H3
InChIKeyLXUFUDMJQPGXMZ-UHFFFAOYSA-N
XLogP3.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.05
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-[1-(2,6-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 61041711
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 78686890
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62816422
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 134017266
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
CID 62811983
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61150966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide (CID 61051043) is 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cccnc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is LXUFUDMJQPGXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-8(9-4-5-10(15)11(16)7-9)18-21(19,20)12-3-2-6-17-13(12)14/h2-8,18H,1H3.
What are the key properties of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide?
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 332.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 61051043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).