(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate

C15H11ClN2O4S2 — CID 13236654

IUPAC(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate
SMILESNS(=O)(=O)c1nc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2s1
InChIInChI=1S/C15H11ClN2O4S2/c16-10-3-1-9(2-4-10)7-14(19)22-11-5-6-12-13(8-11)23-15(18-12)24(17,20)21/h1-6,8H,7H2,(H2,17,20,21)
InChIKeyMTEUZRMFJMJGDP-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.75
Rot. Bonds4

About (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate

(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate (PubChem CID 13236654) has the molecular formula C15H11ClN2O4S2 and a molecular weight of 382.85 g/mol. Its IUPAC name is (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate
PubChem CID13236654
Molecular FormulaC15H11ClN2O4S2
Molecular Weight382.85 g/mol
Exact Mass381.98
IUPAC Name(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate
SMILESNS(=O)(=O)c1nc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2s1
InChIInChI=1S/C15H11ClN2O4S2/c16-10-3-1-9(2-4-10)7-14(19)22-11-5-6-12-13(8-11)23-15(18-12)24(17,20)21/h1-6,8H,7H2,(H2,17,20,21)
InChIKeyMTEUZRMFJMJGDP-UHFFFAOYSA-N
XLogP2.75
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-(Benzyloxy)-1,3-benzothiazole-2-sulfonamide
CID 23275795
2,3,4,5,6-Pentafluoro-benzoic acid 2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethyl ester
CID 10576231
2,3,4,5,6-Pentafluoro-benzoic acid 2-sulfamoyl-benzothiazol-6-yl ester
CID 10693598
Benzoic acid 2-methyl-benzothiazol-6-yl ester
CID 836197
L 645151
CID 135214
2-Sulfamoyl-1,3-benzothiazol-6-yl butanoate
CID 13236651
2-Sulfamoyl-1,3-benzothiazol-6-yl phenylacetate
CID 13236652
2-Sulfamoyl-6-benzothiazolyl Benzoate
CID 13236653
(2-Sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate
CID 13236655
(2-sulfamoyl-1,3-benzothiazol-6-yl) (E)-3-phenylprop-2-enoate
CID 13236656
2-Sulfamoyl-1,3-benzothiazol-6-yl cyclohexanecarboxylate
CID 13236657
(2-Sulfamoyl-1,3-benzothiazol-6-yl) 2-methylpropanoate
CID 13236658

Frequently Asked Questions

What is the IUPAC name of (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate?
The IUPAC name of (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate (CID 13236654) is (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate.
What is the SMILES notation for (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate?
The canonical SMILES for (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate is NS(=O)(=O)c1nc2ccc(OC(=O)Cc3ccc(Cl)cc3)cc2s1.
What is the InChIKey of (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate?
The InChIKey is MTEUZRMFJMJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4S2/c16-10-3-1-9(2-4-10)7-14(19)22-11-5-6-12-13(8-11)23-15(18-12)24(17,20)21/h1-6,8H,7H2,(H2,17,20,21).
What are the key properties of (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate?
(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate has a molecular weight of 382.85 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 13236654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).