N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

C17H16FN3O4S — CID 3241621

IUPACN-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C17H16FN3O4S/c1-10-4-5-11(8-14(10)18)19-26(24,25)12-6-7-15-13(9-12)16(22)21(3)17(23)20(15)2/h4-9,19H,1-3H3
InChIKeyAUDOWKNXSQNFAK-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.49
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 3241621) has the molecular formula C17H16FN3O4S and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID3241621
Molecular FormulaC17H16FN3O4S
Molecular Weight377.40 g/mol
Exact Mass377.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1F
InChIInChI=1S/C17H16FN3O4S/c1-10-4-5-11(8-14(10)18)19-26(24,25)12-6-7-15-13(9-12)16(22)21(3)17(23)20(15)2/h4-9,19H,1-3H3
InChIKeyAUDOWKNXSQNFAK-UHFFFAOYSA-N
XLogP1.49
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide (CID 3241621) is N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is AUDOWKNXSQNFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S/c1-10-4-5-11(8-14(10)18)19-26(24,25)12-6-7-15-13(9-12)16(22)21(3)17(23)20(15)2/h4-9,19H,1-3H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 377.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 3241621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).