2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide

C15H11ClN2O3S2 — CID 7544410

IUPAC2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H11ClN2O3S2/c16-10-6-7-12-13(8-10)22-15(17-12)18-14(19)9-23(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18,19)
InChIKeyWWSLMDBIJQSUBS-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.36
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide

2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7544410) has the molecular formula C15H11ClN2O3S2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
PubChem CID7544410
Molecular FormulaC15H11ClN2O3S2
Molecular Weight366.85 g/mol
Exact Mass365.99
IUPAC Name2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H11ClN2O3S2/c16-10-6-7-12-13(8-10)22-15(17-12)18-14(19)9-23(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18,19)
InChIKeyWWSLMDBIJQSUBS-UHFFFAOYSA-N
XLogP3.36
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7543712
2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 7615136
N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-phenylbutanamide
CID 71454867
N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600565
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7254203
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
4-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)butanamide
CID 16823694
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 6484634
(2R)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 29048022
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (CID 7544410) is 2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is WWSLMDBIJQSUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S2/c16-10-6-7-12-13(8-10)22-15(17-12)18-14(19)9-23(20,21)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18,19).
What are the key properties of 2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 366.85 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7544410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).