6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide

C17H12ClF3N4O2S — CID 134306524

IUPAC6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3ccc(C(F)(F)F)cc3)n2)n1
InChIInChI=1S/C17H12ClF3N4O2S/c18-12-8-9-14(25-28(26,27)15-3-1-2-13(22)23-15)24-16(12)10-4-6-11(7-5-10)17(19,20)21/h1-9H,(H2,22,23)(H,24,25)
InChIKeyRLRUUUIUFWBSGH-UHFFFAOYSA-N
MW428.82 g/mol
LogP4.20
Rot. Bonds4

About 6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide

6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306524) has the molecular formula C17H12ClF3N4O2S and a molecular weight of 428.82 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306524
Molecular FormulaC17H12ClF3N4O2S
Molecular Weight428.82 g/mol
Exact Mass428.03
IUPAC Name6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3ccc(C(F)(F)F)cc3)n2)n1
InChIInChI=1S/C17H12ClF3N4O2S/c18-12-8-9-14(25-28(26,27)15-3-1-2-13(22)23-15)24-16(12)10-4-6-11(7-5-10)17(19,20)21/h1-9H,(H2,22,23)(H,24,25)
InChIKeyRLRUUUIUFWBSGH-UHFFFAOYSA-N
XLogP4.20
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.82
LogP ≤ 54.20
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-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide (CID 134306524) is 6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide is Nc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3ccc(C(F)(F)F)cc3)n2)n1.
What is the InChIKey of 6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is RLRUUUIUFWBSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O2S/c18-12-8-9-14(25-28(26,27)15-3-1-2-13(22)23-15)24-16(12)10-4-6-11(7-5-10)17(19,20)21/h1-9H,(H2,22,23)(H,24,25).
What are the key properties of 6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 428.82 g/mol, XLogP of 4.20, 4 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-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).