methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate

C18H15N3O6S2 — CID 4871578

IUPACmethyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)ccc2c1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C18H15N3O6S2/c1-26-9-3-5-11-13(7-9)19-16(17(22)27-2)15(11)21-29(24,25)10-4-6-12-14(8-10)28-18(23)20-12/h3-8,19,21H,1-2H3,(H,20,23)
InChIKeyHFMKUPZLJOCZKP-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.67
Rot. Bonds5

About methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate

methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate (PubChem CID 4871578) has the molecular formula C18H15N3O6S2 and a molecular weight of 433.47 g/mol. Its IUPAC name is methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate
PubChem CID4871578
Molecular FormulaC18H15N3O6S2
Molecular Weight433.47 g/mol
Exact Mass433.04
IUPAC Namemethyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cc(OC)ccc2c1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C18H15N3O6S2/c1-26-9-3-5-11-13(7-9)19-16(17(22)27-2)15(11)21-29(24,25)10-4-6-12-14(8-10)28-18(23)20-12/h3-8,19,21H,1-2H3,(H,20,23)
InChIKeyHFMKUPZLJOCZKP-UHFFFAOYSA-N
XLogP2.67
TPSA130.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate (CID 4871578) is methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cc(OC)ccc2c1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1.
What is the InChIKey of methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate?
The InChIKey is HFMKUPZLJOCZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6S2/c1-26-9-3-5-11-13(7-9)19-16(17(22)27-2)15(11)21-29(24,25)10-4-6-12-14(8-10)28-18(23)20-12/h3-8,19,21H,1-2H3,(H,20,23).
What are the key properties of methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate?
methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate has a molecular weight of 433.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 4871578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).