N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide

C17H16F2N4O2S — CID 70681402

IUPACN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3nc(N)ncc3c2)c1F
InChIInChI=1S/C17H16F2N4O2S/c1-2-7-26(24,25)23-14-6-4-12(18)15(16(14)19)10-3-5-13-11(8-10)9-21-17(20)22-13/h3-6,8-9,23H,2,7H2,1H3,(H2,20,21,22)
InChIKeyQXDRNNNFABLWPN-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.31
Rot. Bonds5

About N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide

N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 70681402) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID70681402
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3nc(N)ncc3c2)c1F
InChIInChI=1S/C17H16F2N4O2S/c1-2-7-26(24,25)23-14-6-4-12(18)15(16(14)19)10-3-5-13-11(8-10)9-21-17(20)22-13/h3-6,8-9,23H,2,7H2,1H3,(H2,20,21,22)
InChIKeyQXDRNNNFABLWPN-UHFFFAOYSA-N
XLogP3.31
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide (CID 70681402) is N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3nc(N)ncc3c2)c1F.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is QXDRNNNFABLWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-2-7-26(24,25)23-14-6-4-12(18)15(16(14)19)10-3-5-13-11(8-10)9-21-17(20)22-13/h3-6,8-9,23H,2,7H2,1H3,(H2,20,21,22).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide?
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 378.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 70681402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).