(1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate

C14H9FN2O4S — CID 134102064

IUPAC(1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H9FN2O4S/c15-9-5-7-10(8-6-9)16-14(18)21-13-11-3-1-2-4-12(11)22(19,20)17-13/h1-8H,(H,16,18)
InChIKeyQMAXEQQQXFOKSK-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.52
Rot. Bonds1

About (1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate

(1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate (PubChem CID 134102064) has the molecular formula C14H9FN2O4S and a molecular weight of 320.30 g/mol. Its IUPAC name is (1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name(1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate
PubChem CID134102064
Molecular FormulaC14H9FN2O4S
Molecular Weight320.30 g/mol
Exact Mass320.03
IUPAC Name(1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H9FN2O4S/c15-9-5-7-10(8-6-9)16-14(18)21-13-11-3-1-2-4-12(11)22(19,20)17-13/h1-8H,(H,16,18)
InChIKeyQMAXEQQQXFOKSK-UHFFFAOYSA-N
XLogP2.52
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3,4,5,6-pentafluorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 71319120
N-(4-fluorophenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 847960
[2-(4-fluoroanilino)-2-oxoethyl] (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate
CID 40942785
4-[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 37443624
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-ethyl-N-(4-fluorophenyl)benzamide
CID 55520252
3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide
CID 67576811
3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide
CID 14765032
N-(4-bromophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 29371074
N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 171344810
[(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate
CID 4279498
1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea
CID 71672992
phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate?
The IUPAC name of (1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate (CID 134102064) is (1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate.
What is the SMILES notation for (1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate?
The canonical SMILES for (1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)OC1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of (1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate?
The InChIKey is QMAXEQQQXFOKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O4S/c15-9-5-7-10(8-6-9)16-14(18)21-13-11-3-1-2-4-12(11)22(19,20)17-13/h1-8H,(H,16,18).
What are the key properties of (1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate?
(1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate has a molecular weight of 320.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,2-benzothiazol-3-yl) N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 134102064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).