N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide

C18H18F2N4O2S2 — CID 56554229

IUPACN-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(c2nc(C(F)F)nc3ccccc23)CC1)c1cccs1
InChIInChI=1S/C18H18F2N4O2S2/c19-16(20)17-21-14-5-2-1-4-13(14)18(22-17)24-9-7-12(8-10-24)23-28(25,26)15-6-3-11-27-15/h1-6,11-12,16,23H,7-10H2
InChIKeyIQMPACQKOJHBLP-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.58
Rot. Bonds5

About N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 56554229) has the molecular formula C18H18F2N4O2S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID56554229
Molecular FormulaC18H18F2N4O2S2
Molecular Weight424.50 g/mol
Exact Mass424.08
IUPAC NameN-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(c2nc(C(F)F)nc3ccccc23)CC1)c1cccs1
InChIInChI=1S/C18H18F2N4O2S2/c19-16(20)17-21-14-5-2-1-4-13(14)18(22-17)24-9-7-12(8-10-24)23-28(25,26)15-6-3-11-27-15/h1-6,11-12,16,23H,7-10H2
InChIKeyIQMPACQKOJHBLP-UHFFFAOYSA-N
XLogP3.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide (CID 56554229) is N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(c2nc(C(F)F)nc3ccccc23)CC1)c1cccs1.
What is the InChIKey of N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is IQMPACQKOJHBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S2/c19-16(20)17-21-14-5-2-1-4-13(14)18(22-17)24-9-7-12(8-10-24)23-28(25,26)15-6-3-11-27-15/h1-6,11-12,16,23H,7-10H2.
What are the key properties of N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 424.50 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 56554229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).