N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

C14H9ClFN3O4S — CID 166302689

IUPACN-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc2[nH]1
InChIInChI=1S/C14H9ClFN3O4S/c15-10-5-7(1-3-11(10)16)19-24(22,23)8-2-4-12-9(6-8)13(20)18-14(21)17-12/h1-6,19H,(H2,17,18,20,21)
InChIKeyDPVIWIDHNMQLQO-UHFFFAOYSA-N
MW369.76 g/mol
LogP1.81
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 166302689) has the molecular formula C14H9ClFN3O4S and a molecular weight of 369.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID166302689
Molecular FormulaC14H9ClFN3O4S
Molecular Weight369.76 g/mol
Exact Mass369.00
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc2[nH]1
InChIInChI=1S/C14H9ClFN3O4S/c15-10-5-7(1-3-11(10)16)19-24(22,23)8-2-4-12-9(6-8)13(20)18-14(21)17-12/h1-6,19H,(H2,17,18,20,21)
InChIKeyDPVIWIDHNMQLQO-UHFFFAOYSA-N
XLogP1.81
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 110760029
N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 46966768
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 91819596
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
CID 64788086
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 166302689) is N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc2[nH]1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is DPVIWIDHNMQLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O4S/c15-10-5-7(1-3-11(10)16)19-24(22,23)8-2-4-12-9(6-8)13(20)18-14(21)17-12/h1-6,19H,(H2,17,18,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 369.76 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 166302689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).