N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide

C13H14FN3O4S — CID 121398285

IUPACN-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3(CF)CC3)ccc21
InChIInChI=1S/C13H14FN3O4S/c1-17-10-3-2-8(6-9(10)11(18)15-12(17)19)22(20,21)16-13(7-14)4-5-13/h2-3,6,16H,4-5,7H2,1H3,(H,15,18,19)
InChIKeyUNUHAVRDZPPWTE-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.01
Rot. Bonds4

About N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide

N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 121398285) has the molecular formula C13H14FN3O4S and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID121398285
Molecular FormulaC13H14FN3O4S
Molecular Weight327.34 g/mol
Exact Mass327.07
IUPAC NameN-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3(CF)CC3)ccc21
InChIInChI=1S/C13H14FN3O4S/c1-17-10-3-2-8(6-9(10)11(18)15-12(17)19)22(20,21)16-13(7-14)4-5-13/h2-3,6,16H,4-5,7H2,1H3,(H,15,18,19)
InChIKeyUNUHAVRDZPPWTE-UHFFFAOYSA-N
XLogP0.01
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide (CID 121398285) is N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide is Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NC3(CF)CC3)ccc21.
What is the InChIKey of N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is UNUHAVRDZPPWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O4S/c1-17-10-3-2-8(6-9(10)11(18)15-12(17)19)22(20,21)16-13(7-14)4-5-13/h2-3,6,16H,4-5,7H2,1H3,(H,15,18,19).
What are the key properties of N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide?
N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 327.34 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethyl)cyclopropyl]-1-methyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 121398285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).