N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide

C19H19F2N5O2S — CID 167484148

IUPACN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide
SMILESNc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)C4CCNCC4)c3F)ccc2n1
InChIInChI=1S/C19H19F2N5O2S/c20-14-2-4-16(26-29(27,28)13-5-7-23-8-6-13)18(21)17(14)11-1-3-15-12(9-11)10-24-19(22)25-15/h1-4,9-10,13,23,26H,5-8H2,(H2,22,24,25)
InChIKeyQBBIDFPBJJBDTM-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.65
Rot. Bonds4

About N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide

N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide (PubChem CID 167484148) has the molecular formula C19H19F2N5O2S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide
PubChem CID167484148
Molecular FormulaC19H19F2N5O2S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide
SMILESNc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)C4CCNCC4)c3F)ccc2n1
InChIInChI=1S/C19H19F2N5O2S/c20-14-2-4-16(26-29(27,28)13-5-7-23-8-6-13)18(21)17(14)11-1-3-15-12(9-11)10-24-19(22)25-15/h1-4,9-10,13,23,26H,5-8H2,(H2,22,24,25)
InChIKeyQBBIDFPBJJBDTM-UHFFFAOYSA-N
XLogP2.65
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide (CID 167484148) is N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide is Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)C4CCNCC4)c3F)ccc2n1.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide?
The InChIKey is QBBIDFPBJJBDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2S/c20-14-2-4-16(26-29(27,28)13-5-7-23-8-6-13)18(21)17(14)11-1-3-15-12(9-11)10-24-19(22)25-15/h1-4,9-10,13,23,26H,5-8H2,(H2,22,24,25).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide?
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide has a molecular weight of 419.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide is sourced from PubChem (CID 167484148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).