4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine

C17H13ClFN3O3S — CID 57404712

IUPAC4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine
SMILESNS(=O)(=O)Nc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C17H13ClFN3O3S/c18-12-9-16(21-17(10-12)22-26(20,23)24)11-1-5-14(6-2-11)25-15-7-3-13(19)4-8-15/h1-10H,(H,21,22)(H2,20,23,24)
InChIKeyZMBCUNYJUPKMHV-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.95
Rot. Bonds5

About 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine

4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine (PubChem CID 57404712) has the molecular formula C17H13ClFN3O3S and a molecular weight of 393.83 g/mol. Its IUPAC name is 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine.

Molecular Properties

Compound Name4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine
PubChem CID57404712
Molecular FormulaC17H13ClFN3O3S
Molecular Weight393.83 g/mol
Exact Mass393.04
IUPAC Name4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine
SMILESNS(=O)(=O)Nc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C17H13ClFN3O3S/c18-12-9-16(21-17(10-12)22-26(20,23)24)11-1-5-14(6-2-11)25-15-7-3-13(19)4-8-15/h1-10H,(H,21,22)(H2,20,23,24)
InChIKeyZMBCUNYJUPKMHV-UHFFFAOYSA-N
XLogP3.95
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-Chlorophenyl)-5-(4-phenoxyphenyl)pyrrol-1-ylmethyl]pyridin-2-ylamine
CID 11532527
6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11619220
6-((2-(4-butoxyphenyl)-5-(2-chlorophenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11647679
6-((2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrrol-1-yl)methyl)pyridin-2-amine
CID 11676068
N-(4-chloro-6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)methanesulfonamide
CID 57404709
US9656959, Example 17
CID 57404710
N-(6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)methanesulfonamide
CID 57404883
N-(6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)cyclopropaneSulfonamide
CID 57404885
US9656959, Example 64
CID 57405388
(S)-2-((4-chloro-6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)amino)propanamide
CID 57405904
6-[(4-Chlorophenoxy)methyl]quinolin-2-amine
CID 155561303
6-[[2-(2-Chlorophenyl)-5-(4-hexoxyphenyl)pyrrol-1-yl]methyl]pyridin-2-amine
CID 11684016

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine?
The IUPAC name of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine (CID 57404712) is 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine.
What is the SMILES notation for 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine?
The canonical SMILES for 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine is NS(=O)(=O)Nc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine?
The InChIKey is ZMBCUNYJUPKMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S/c18-12-9-16(21-17(10-12)22-26(20,23)24)11-1-5-14(6-2-11)25-15-7-3-13(19)4-8-15/h1-10H,(H,21,22)(H2,20,23,24).
What are the key properties of 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine?
4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine has a molecular weight of 393.83 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(4-fluorophenoxy)phenyl]-6-(sulfamoylamino)pyridine is sourced from PubChem (CID 57404712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).