N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide

C19H11ClFN3O4S2 — CID 46833005

IUPACN-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESO=C(c1cccc(F)c1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(-c2cnco2)s1
InChIInChI=1S/C19H11ClFN3O4S2/c20-12-7-14(18(25)11-2-1-3-13(21)6-11)19(23-8-12)24-30(26,27)17-5-4-16(29-17)15-9-22-10-28-15/h1-10H,(H,23,24)
InChIKeyWRHVAQOEZYHHPR-UHFFFAOYSA-N
MW463.90 g/mol
LogP4.62
Rot. Bonds6

About N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide

N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 46833005) has the molecular formula C19H11ClFN3O4S2 and a molecular weight of 463.90 g/mol. Its IUPAC name is N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID46833005
Molecular FormulaC19H11ClFN3O4S2
Molecular Weight463.90 g/mol
Exact Mass462.99
IUPAC NameN-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESO=C(c1cccc(F)c1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(-c2cnco2)s1
InChIInChI=1S/C19H11ClFN3O4S2/c20-12-7-14(18(25)11-2-1-3-13(21)6-11)19(23-8-12)24-30(26,27)17-5-4-16(29-17)15-9-22-10-28-15/h1-10H,(H,23,24)
InChIKeyWRHVAQOEZYHHPR-UHFFFAOYSA-N
XLogP4.62
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide (CID 46833005) is N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide is O=C(c1cccc(F)c1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(-c2cnco2)s1.
What is the InChIKey of N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is WRHVAQOEZYHHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O4S2/c20-12-7-14(18(25)11-2-1-3-13(21)6-11)19(23-8-12)24-30(26,27)17-5-4-16(29-17)15-9-22-10-28-15/h1-10H,(H,23,24).
What are the key properties of N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 463.90 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 46833005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).