[2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol

C11H13ClFNO4S2 — CID 81461813

IUPAC[2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol
SMILESO=S1CCN(S(=O)(=O)c2cc(F)c(Cl)c(CO)c2)CC1
InChIInChI=1S/C11H13ClFNO4S2/c12-11-8(7-15)5-9(6-10(11)13)20(17,18)14-1-3-19(16)4-2-14/h5-6,15H,1-4,7H2
InChIKeyUQBMOSUWEKOPEO-UHFFFAOYSA-N
MW341.81 g/mol
LogP0.72
Rot. Bonds3

About [2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol

[2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol (PubChem CID 81461813) has the molecular formula C11H13ClFNO4S2 and a molecular weight of 341.81 g/mol. Its IUPAC name is [2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol
PubChem CID81461813
Molecular FormulaC11H13ClFNO4S2
Molecular Weight341.81 g/mol
Exact Mass341.00
IUPAC Name[2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol
SMILESO=S1CCN(S(=O)(=O)c2cc(F)c(Cl)c(CO)c2)CC1
InChIInChI=1S/C11H13ClFNO4S2/c12-11-8(7-15)5-9(6-10(11)13)20(17,18)14-1-3-19(16)4-2-14/h5-6,15H,1-4,7H2
InChIKeyUQBMOSUWEKOPEO-UHFFFAOYSA-N
XLogP0.72
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 81451955
N-[(2-chloro-3-fluoro-5-morpholin-4-ylsulfonylphenyl)methyl]ethanamine
CID 81452348
[2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 81457801
4-chloro-3-fluoro-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81462040
5-(azetidin-1-ylsulfonyl)-2-chloro-3-fluorobenzoic acid
CID 81461648
(2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol
CID 81435732
4-chloro-N-(dicyclopropylmethyl)-3-fluoro-5-(hydroxymethyl)benzenesulfonamide
CID 81451546
4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide
CID 54975901
2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 113288420
4-[4-chloro-3-(chloromethyl)-5-fluorophenyl]sulfonyl-2-methyl-1,4-oxazepane
CID 81452514
1-[4-chloro-3-(chloromethyl)-5-fluorophenyl]sulfonyl-3,3-dimethylpiperidine
CID 81450841
1-[2-chloro-3-fluoro-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 81457130

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol?
The IUPAC name of [2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol (CID 81461813) is [2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol.
What is the SMILES notation for [2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol?
The canonical SMILES for [2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol is O=S1CCN(S(=O)(=O)c2cc(F)c(Cl)c(CO)c2)CC1.
What is the InChIKey of [2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol?
The InChIKey is UQBMOSUWEKOPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4S2/c12-11-8(7-15)5-9(6-10(11)13)20(17,18)14-1-3-19(16)4-2-14/h5-6,15H,1-4,7H2.
What are the key properties of [2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol?
[2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol has a molecular weight of 341.81 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-fluoro-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanol is sourced from PubChem (CID 81461813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).