N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide

C15H16F3N3O4S — CID 169187288

IUPACN-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3c(c2)c(=O)[nH]c(=O)n3CCC(F)(F)F)CC1
InChIInChI=1S/C15H16F3N3O4S/c1-14(4-5-14)20-26(24,25)9-2-3-11-10(8-9)12(22)19-13(23)21(11)7-6-15(16,17)18/h2-3,8,20H,4-7H2,1H3,(H,19,22,23)
InChIKeySNZJHADUMBHFEW-UHFFFAOYSA-N
MW391.37 g/mol
LogP1.47
Rot. Bonds5

About N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide

N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide (PubChem CID 169187288) has the molecular formula C15H16F3N3O4S and a molecular weight of 391.37 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide
PubChem CID169187288
Molecular FormulaC15H16F3N3O4S
Molecular Weight391.37 g/mol
Exact Mass391.08
IUPAC NameN-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc3c(c2)c(=O)[nH]c(=O)n3CCC(F)(F)F)CC1
InChIInChI=1S/C15H16F3N3O4S/c1-14(4-5-14)20-26(24,25)9-2-3-11-10(8-9)12(22)19-13(23)21(11)7-6-15(16,17)18/h2-3,8,20H,4-7H2,1H3,(H,19,22,23)
InChIKeySNZJHADUMBHFEW-UHFFFAOYSA-N
XLogP1.47
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide with MolForge

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Related Compounds

N-(1-methylcyclopropyl)-1-(oxetan-3-ylmethyl)-2,4-dioxoquinazoline-6-sulfonamide;prop-2-enamide
CID 169187330
3-methyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398247
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
1-methyl-N-(1-methylcyclopropyl)-3-[(3-methylimidazolidin-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 134183410
3-methyl-N-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)methyl]-2-oxobenzimidazole-5-sulfonamide
CID 121415808
1-(2-cyclopropylethyl)-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide
CID 121415781
1-(cyclopropylmethyl)-3-[2-(methylamino)ethyl]-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 169187408
3-ethyl-N-(1-methylcyclopropyl)-1-(2-methylpropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398359
1-benzyl-3-ethyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398750
3-amino-1-[4-fluoro-2-(fluoromethyl)butyl]-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 169187166
N-(1-methylcyclopropyl)-1,3-bis[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398333
1-(azetidin-3-ylmethyl)-N-(1-methylcyclopropyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398425

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide (CID 169187288) is N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide is CC1(NS(=O)(=O)c2ccc3c(c2)c(=O)[nH]c(=O)n3CCC(F)(F)F)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide?
The InChIKey is SNZJHADUMBHFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4S/c1-14(4-5-14)20-26(24,25)9-2-3-11-10(8-9)12(22)19-13(23)21(11)7-6-15(16,17)18/h2-3,8,20H,4-7H2,1H3,(H,19,22,23).
What are the key properties of N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide?
N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide has a molecular weight of 391.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-2,4-dioxo-1-(3,3,3-trifluoropropyl)quinazoline-6-sulfonamide is sourced from PubChem (CID 169187288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).