(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C11H11BrFNO3S — CID 103707270

IUPAC(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H11BrFNO3S/c12-9-7-8(1-2-10(9)13)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6H2
InChIKeySJXRSFXMWIUYIY-UHFFFAOYSA-N
MW336.18 g/mol
LogP1.46
Rot. Bonds1

About (3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 103707270) has the molecular formula C11H11BrFNO3S and a molecular weight of 336.18 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID103707270
Molecular FormulaC11H11BrFNO3S
Molecular Weight336.18 g/mol
Exact Mass334.96
IUPAC Name(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(F)c(Br)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H11BrFNO3S/c12-9-7-8(1-2-10(9)13)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6H2
InChIKeySJXRSFXMWIUYIY-UHFFFAOYSA-N
XLogP1.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410
(3-bromo-4-methylphenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79458140
1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
[4-bromo-3-(trifluoromethyl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 81449740
[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 103706428
4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
CID 103707230
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119376292
(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 67385652
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
(2-bromo-4-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103755134
(2-bromo-6-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113251014

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 103707270) is (3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(c1ccc(F)c(Br)c1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is SJXRSFXMWIUYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3S/c12-9-7-8(1-2-10(9)13)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 336.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 103707270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).