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

C18H20N4O2S — CID 70685605

IUPACN-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1
InChIInChI=1S/C18H20N4O2S/c1-3-8-25(23,24)22-15-6-4-12(2)16(10-15)13-5-7-17-14(9-13)11-20-18(19)21-17/h4-7,9-11,22H,3,8H2,1-2H3,(H2,19,20,21)
InChIKeyGFSXLVKHQZSGSM-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.34
Rot. Bonds5

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

N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide (PubChem CID 70685605) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide
PubChem CID70685605
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1
InChIInChI=1S/C18H20N4O2S/c1-3-8-25(23,24)22-15-6-4-12(2)16(10-15)13-5-7-17-14(9-13)11-20-18(19)21-17/h4-7,9-11,22H,3,8H2,1-2H3,(H2,19,20,21)
InChIKeyGFSXLVKHQZSGSM-UHFFFAOYSA-N
XLogP3.34
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.34
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)-4-methylphenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide (CID 70685605) is N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide?
The InChIKey is GFSXLVKHQZSGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-8-25(23,24)22-15-6-4-12(2)16(10-15)13-5-7-17-14(9-13)11-20-18(19)21-17/h4-7,9-11,22H,3,8H2,1-2H3,(H2,19,20,21).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide?
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]propane-1-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.34, 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)-4-methylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 70685605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).