N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide

C16H13ClN2O3S2 — CID 8702326

IUPACN-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c3ncsc23)cc1
InChIInChI=1S/C16H13ClN2O3S2/c1-24(21,22)11-4-2-10(3-5-11)8-14(20)19-13-7-6-12(17)15-16(13)23-9-18-15/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyRJCKVZHASACSBE-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.53
Rot. Bonds4

About N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide

N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 8702326) has the molecular formula C16H13ClN2O3S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID8702326
Molecular FormulaC16H13ClN2O3S2
Molecular Weight380.88 g/mol
Exact Mass380.01
IUPAC NameN-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c3ncsc23)cc1
InChIInChI=1S/C16H13ClN2O3S2/c1-24(21,22)11-4-2-10(3-5-11)8-14(20)19-13-7-6-12(17)15-16(13)23-9-18-15/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyRJCKVZHASACSBE-UHFFFAOYSA-N
XLogP3.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide (CID 8702326) is N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c3ncsc23)cc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is RJCKVZHASACSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S2/c1-24(21,22)11-4-2-10(3-5-11)8-14(20)19-13-7-6-12(17)15-16(13)23-9-18-15/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide?
N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 380.88 g/mol, XLogP of 3.53, 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-7-yl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 8702326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).