6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide

C18H15ClF2N4O2S — CID 134328861

IUPAC6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
SMILESCC(F)(F)c1ccccc1-c1nc(NS(=O)(=O)c2cccc(N)n2)ccc1Cl
InChIInChI=1S/C18H15ClF2N4O2S/c1-18(20,21)12-6-3-2-5-11(12)17-13(19)9-10-15(24-17)25-28(26,27)16-8-4-7-14(22)23-16/h2-10H,1H3,(H2,22,23)(H,24,25)
InChIKeyLCSRCJDKSDAVAL-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.29
Rot. Bonds5

About 6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide

6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134328861) has the molecular formula C18H15ClF2N4O2S and a molecular weight of 424.86 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134328861
Molecular FormulaC18H15ClF2N4O2S
Molecular Weight424.86 g/mol
Exact Mass424.06
IUPAC Name6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
SMILESCC(F)(F)c1ccccc1-c1nc(NS(=O)(=O)c2cccc(N)n2)ccc1Cl
InChIInChI=1S/C18H15ClF2N4O2S/c1-18(20,21)12-6-3-2-5-11(12)17-13(19)9-10-15(24-17)25-28(26,27)16-8-4-7-14(22)23-16/h2-10H,1H3,(H2,22,23)(H,24,25)
InChIKeyLCSRCJDKSDAVAL-UHFFFAOYSA-N
XLogP4.29
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide (CID 134328861) is 6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide is CC(F)(F)c1ccccc1-c1nc(NS(=O)(=O)c2cccc(N)n2)ccc1Cl.
What is the InChIKey of 6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is LCSRCJDKSDAVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O2S/c1-18(20,21)12-6-3-2-5-11(12)17-13(19)9-10-15(24-17)25-28(26,27)16-8-4-7-14(22)23-16/h2-10H,1H3,(H2,22,23)(H,24,25).
What are the key properties of 6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 424.86 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[5-chloro-6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134328861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).