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

C20H12ClF2N3O2S2 — CID 58992422

IUPACN-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cc1)c1c(F)cncc1F
InChIInChI=1S/C20H12ClF2N3O2S2/c21-16-6-3-13(20-25-7-8-29-20)9-15(16)12-1-4-14(5-2-12)26-30(27,28)19-17(22)10-24-11-18(19)23/h1-11,26H
InChIKeyQVWGUXMEASFUAR-UHFFFAOYSA-N
MW463.92 g/mol
LogP5.60
Rot. Bonds5

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

N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide (PubChem CID 58992422) has the molecular formula C20H12ClF2N3O2S2 and a molecular weight of 463.92 g/mol. Its IUPAC name is N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide
PubChem CID58992422
Molecular FormulaC20H12ClF2N3O2S2
Molecular Weight463.92 g/mol
Exact Mass463.00
IUPAC NameN-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cc1)c1c(F)cncc1F
InChIInChI=1S/C20H12ClF2N3O2S2/c21-16-6-3-13(20-25-7-8-29-20)9-15(16)12-1-4-14(5-2-12)26-30(27,28)19-17(22)10-24-11-18(19)23/h1-11,26H
InChIKeyQVWGUXMEASFUAR-UHFFFAOYSA-N
XLogP5.60
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.92
LogP ≤ 55.60
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]-3,5-difluoropyridine-4-sulfonamide?
The IUPAC name of N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide (CID 58992422) is N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide.
What is the SMILES notation for N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide?
The canonical SMILES for N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide is O=S(=O)(Nc1ccc(-c2cc(-c3nccs3)ccc2Cl)cc1)c1c(F)cncc1F.
What is the InChIKey of N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide?
The InChIKey is QVWGUXMEASFUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N3O2S2/c21-16-6-3-13(20-25-7-8-29-20)9-15(16)12-1-4-14(5-2-12)26-30(27,28)19-17(22)10-24-11-18(19)23/h1-11,26H.
What are the key properties of N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide?
N-[4-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide has a molecular weight of 463.92 g/mol, XLogP of 5.60, 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]-3,5-difluoropyridine-4-sulfonamide is sourced from PubChem (CID 58992422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).