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

C13H11ClF2N2O2S — CID 60639957

IUPAC6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)nc1)c1ccc(F)cc1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-8(11-4-2-9(15)6-12(11)16)18-21(19,20)10-3-5-13(14)17-7-10/h2-8,18H,1H3
InChIKeyBXHNHGMXYNCOSM-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.05
Rot. Bonds4

About 6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide

6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 60639957) has the molecular formula C13H11ClF2N2O2S and a molecular weight of 332.76 g/mol. Its IUPAC name is 6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID60639957
Molecular FormulaC13H11ClF2N2O2S
Molecular Weight332.76 g/mol
Exact Mass332.02
IUPAC Name6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)nc1)c1ccc(F)cc1F
InChIInChI=1S/C13H11ClF2N2O2S/c1-8(11-4-2-9(15)6-12(11)16)18-21(19,20)10-3-5-13(14)17-7-10/h2-8,18H,1H3
InChIKeyBXHNHGMXYNCOSM-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

N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 51169578
6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 7510094
N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249942
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 86668141
6-chloro-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 82890177
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
3-chloro-N-[1-(2,4-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877148
2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
CID 55907244
6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61045709
N-but-3-yn-2-yl-6-chloropyridine-3-sulfonamide
CID 114416452
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 78961556
N-[1-(2,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55558604

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide (CID 60639957) is 6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(Cl)nc1)c1ccc(F)cc1F.
What is the InChIKey of 6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is BXHNHGMXYNCOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2S/c1-8(11-4-2-9(15)6-12(11)16)18-21(19,20)10-3-5-13(14)17-7-10/h2-8,18H,1H3.
What are the key properties of 6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide?
6-chloro-N-[1-(2,4-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 6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 60639957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).