(4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate

C15H11FN2O4S2 — CID 57422910

IUPAC(4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)Oc3ccc(F)cc3)sc2c1
InChIInChI=1S/C15H11FN2O4S2/c1-24(20,21)11-6-7-12-13(8-11)23-14(17-12)18-15(19)22-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,18,19)
InChIKeyFKOIDZRWNHQDAV-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.45
Rot. Bonds3

About (4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate

(4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate (PubChem CID 57422910) has the molecular formula C15H11FN2O4S2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Name(4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
PubChem CID57422910
Molecular FormulaC15H11FN2O4S2
Molecular Weight366.40 g/mol
Exact Mass366.01
IUPAC Name(4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)Oc3ccc(F)cc3)sc2c1
InChIInChI=1S/C15H11FN2O4S2/c1-24(20,21)11-6-7-12-13(8-11)23-14(17-12)18-15(19)22-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,18,19)
InChIKeyFKOIDZRWNHQDAV-UHFFFAOYSA-N
XLogP3.45
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 18585976
2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 167986896
5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide
CID 29127937
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)nonanamide
CID 4586517
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2971235
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1075302
(E)-3-(3-fluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 2666768
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 18196513
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl] N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate
CID 87445312

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of (4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate (CID 57422910) is (4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for (4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for (4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate is CS(=O)(=O)c1ccc2nc(NC(=O)Oc3ccc(F)cc3)sc2c1.
What is the InChIKey of (4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is FKOIDZRWNHQDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4S2/c1-24(20,21)11-6-7-12-13(8-11)23-14(17-12)18-15(19)22-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,18,19).
What are the key properties of (4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate?
(4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 366.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 57422910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).