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

C17H11ClF4N4O2S — CID 134306543

IUPAC6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccc(F)cc3Cl)n2)n1
InChIInChI=1S/C17H11ClF4N4O2S/c18-12-8-9(19)4-5-10(12)16-11(17(20,21)22)6-7-14(25-16)26-29(27,28)15-3-1-2-13(23)24-15/h1-8H,(H2,23,24)(H,25,26)
InChIKeyZIJGWFMQTSNTQX-UHFFFAOYSA-N
MW446.81 g/mol
LogP4.34
Rot. Bonds4

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

6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306543) has the molecular formula C17H11ClF4N4O2S and a molecular weight of 446.81 g/mol. Its IUPAC name is 6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306543
Molecular FormulaC17H11ClF4N4O2S
Molecular Weight446.81 g/mol
Exact Mass446.02
IUPAC Name6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccc(F)cc3Cl)n2)n1
InChIInChI=1S/C17H11ClF4N4O2S/c18-12-8-9(19)4-5-10(12)16-11(17(20,21)22)6-7-14(25-16)26-29(27,28)15-3-1-2-13(23)24-15/h1-8H,(H2,23,24)(H,25,26)
InChIKeyZIJGWFMQTSNTQX-UHFFFAOYSA-N
XLogP4.34
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.81
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 44143306
CID 44143306
CID 44143309
CID 44143309
CID 11531026
CID 11531026
CID 11545309
CID 11545309
CID 11553722
CID 11553722
CID 11559857
CID 11559857
CID 11575135
CID 11575135
CID 11581993
CID 11581993
CID 11582694
CID 11582694
CID 11595965
CID 11595965
CID 11603518
CID 11603518
CID 11610620
CID 11610620

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134306543) is 6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is Nc1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(-c3ccc(F)cc3Cl)n2)n1.
What is the InChIKey of 6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is ZIJGWFMQTSNTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N4O2S/c18-12-8-9(19)4-5-10(12)16-11(17(20,21)22)6-7-14(25-16)26-29(27,28)15-3-1-2-13(23)24-15/h1-8H,(H2,23,24)(H,25,26).
What are the key properties of 6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 446.81 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[6-(2-chloro-4-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).