N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide

C15H10ClFN2O3S2 — CID 7544666

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(Cl)cccc2s1
InChIInChI=1S/C15H10ClFN2O3S2/c16-11-2-1-3-12-14(11)19-15(23-12)18-13(20)8-24(21,22)10-6-4-9(17)5-7-10/h1-7H,8H2,(H,18,19,20)
InChIKeySZABZUFZZFROQB-UHFFFAOYSA-N
MW384.84 g/mol
LogP3.50
Rot. Bonds4

About N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide

N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide (PubChem CID 7544666) has the molecular formula C15H10ClFN2O3S2 and a molecular weight of 384.84 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
PubChem CID7544666
Molecular FormulaC15H10ClFN2O3S2
Molecular Weight384.84 g/mol
Exact Mass383.98
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(Cl)cccc2s1
InChIInChI=1S/C15H10ClFN2O3S2/c16-11-2-1-3-12-14(11)19-15(23-12)18-13(20)8-24(21,22)10-6-4-9(17)5-7-10/h1-7H,8H2,(H,18,19,20)
InChIKeySZABZUFZZFROQB-UHFFFAOYSA-N
XLogP3.50
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546262
N'-(4-bromo-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 43953357
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254392
2-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 55361701
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7565735
N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 3626917
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide
CID 18586778
4-(4-chlorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide
CID 41320140
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
CID 41047408
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
CID 16799550

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide (CID 7544666) is N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide is O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc2c(Cl)cccc2s1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is SZABZUFZZFROQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O3S2/c16-11-2-1-3-12-14(11)19-15(23-12)18-13(20)8-24(21,22)10-6-4-9(17)5-7-10/h1-7H,8H2,(H,18,19,20).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 384.84 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 7544666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).