N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide

C20H13ClFN3O2S2 — CID 58992420

IUPACN-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cc1)c1ccncc1F
InChIInChI=1S/C20H13ClFN3O2S2/c21-17-6-3-14(20-24-9-10-28-20)11-16(17)13-1-4-15(5-2-13)25-29(26,27)19-7-8-23-12-18(19)22/h1-12,25H
InChIKeyXFZYEVBMYOJIOE-UHFFFAOYSA-N
MW445.93 g/mol
LogP5.47
Rot. Bonds5

About N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide

N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide (PubChem CID 58992420) has the molecular formula C20H13ClFN3O2S2 and a molecular weight of 445.93 g/mol. Its IUPAC name is N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide
PubChem CID58992420
Molecular FormulaC20H13ClFN3O2S2
Molecular Weight445.93 g/mol
Exact Mass445.01
IUPAC NameN-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cc1)c1ccncc1F
InChIInChI=1S/C20H13ClFN3O2S2/c21-17-6-3-14(20-24-9-10-28-20)11-16(17)13-1-4-15(5-2-13)25-29(26,27)19-7-8-23-12-18(19)22/h1-12,25H
InChIKeyXFZYEVBMYOJIOE-UHFFFAOYSA-N
XLogP5.47
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.93
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide?
The IUPAC name of N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide (CID 58992420) is N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide.
What is the SMILES notation for N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide?
The canonical SMILES for N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide is O=S(=O)(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cc1)c1ccncc1F.
What is the InChIKey of N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide?
The InChIKey is XFZYEVBMYOJIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O2S2/c21-17-6-3-14(20-24-9-10-28-20)11-16(17)13-1-4-15(5-2-13)25-29(26,27)19-7-8-23-12-18(19)22/h1-12,25H.
What are the key properties of N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide?
N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide has a molecular weight of 445.93 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide is sourced from PubChem (CID 58992420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).