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

C16H13F2N3O4S — CID 3328350

IUPACN-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc2n(C)c1=O
InChIInChI=1S/C16H13F2N3O4S/c1-20-14-6-4-10(8-11(14)15(22)21(2)16(20)23)26(24,25)19-13-5-3-9(17)7-12(13)18/h3-8,19H,1-2H3
InChIKeyGBZCHBRRUWURKJ-UHFFFAOYSA-N
MW381.36 g/mol
LogP1.32
Rot. Bonds3

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

N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 3328350) has the molecular formula C16H13F2N3O4S and a molecular weight of 381.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID3328350
Molecular FormulaC16H13F2N3O4S
Molecular Weight381.36 g/mol
Exact Mass381.06
IUPAC NameN-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc2n(C)c1=O
InChIInChI=1S/C16H13F2N3O4S/c1-20-14-6-4-10(8-11(14)15(22)21(2)16(20)23)26(24,25)19-13-5-3-9(17)7-12(13)18/h3-8,19H,1-2H3
InChIKeyGBZCHBRRUWURKJ-UHFFFAOYSA-N
XLogP1.32
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
N-(4-fluoro-2-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831872
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
CID 46786417
N-(2-fluorophenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831755
N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3314659
(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
CID 51983971
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide
CID 51066200
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207
6-[(2,4-difluorophenyl)methyl]-7-(2-hydroxyethylamino)-1,3-dimethylquinazoline-2,4-dione
CID 167246320
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide
CID 20865843
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide (CID 3328350) is N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide is Cn1c(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3F)ccc2n(C)c1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is GBZCHBRRUWURKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O4S/c1-20-14-6-4-10(8-11(14)15(22)21(2)16(20)23)26(24,25)19-13-5-3-9(17)7-12(13)18/h3-8,19H,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 381.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 3328350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).