N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide

C18H20N4O2S — CID 39165458

IUPACN-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNc2ncnc3ccccc23)c1
InChIInChI=1S/C18H20N4O2S/c1-13(2)22-25(23,24)15-7-5-6-14(10-15)11-19-18-16-8-3-4-9-17(16)20-12-21-18/h3-10,12-13,22H,11H2,1-2H3,(H,19,20,21)
InChIKeyVQNCLRUUGFFKMY-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.93
Rot. Bonds6

About N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide

N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide (PubChem CID 39165458) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide
PubChem CID39165458
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNc2ncnc3ccccc23)c1
InChIInChI=1S/C18H20N4O2S/c1-13(2)22-25(23,24)15-7-5-6-14(10-15)11-19-18-16-8-3-4-9-17(16)20-12-21-18/h3-10,12-13,22H,11H2,1-2H3,(H,19,20,21)
InChIKeyVQNCLRUUGFFKMY-UHFFFAOYSA-N
XLogP2.93
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide (CID 39165458) is N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide is CC(C)NS(=O)(=O)c1cccc(CNc2ncnc3ccccc23)c1.
What is the InChIKey of N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide?
The InChIKey is VQNCLRUUGFFKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13(2)22-25(23,24)15-7-5-6-14(10-15)11-19-18-16-8-3-4-9-17(16)20-12-21-18/h3-10,12-13,22H,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide?
N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(quinazolin-4-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 39165458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).