7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

C17H13N3O5S2 — CID 40888296

IUPAC7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)oc12
InChIInChI=1S/C17H13N3O5S2/c1-24-12-4-2-3-9-7-13(25-15(9)12)16(21)20-17-19-11-6-5-10(27(18,22)23)8-14(11)26-17/h2-8H,1H3,(H2,18,22,23)(H,19,20,21)
InChIKeyKLCZAPIJQDJVJH-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.95
Rot. Bonds4

About 7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 40888296) has the molecular formula C17H13N3O5S2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID40888296
Molecular FormulaC17H13N3O5S2
Molecular Weight403.44 g/mol
Exact Mass403.03
IUPAC Name7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)oc12
InChIInChI=1S/C17H13N3O5S2/c1-24-12-4-2-3-9-7-13(25-15(9)12)16(21)20-17-19-11-6-5-10(27(18,22)23)8-14(11)26-17/h2-8H,1H3,(H2,18,22,23)(H,19,20,21)
InChIKeyKLCZAPIJQDJVJH-UHFFFAOYSA-N
XLogP2.95
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888287
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 41233085
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 71794719
4-tert-butyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 4303636
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 3660140
4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 5151234
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furo[3,2-b]pyridine-2-carboxamide
CID 16906882
N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 91527109
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 5108895
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide (CID 40888296) is 7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)oc12.
What is the InChIKey of 7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is KLCZAPIJQDJVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5S2/c1-24-12-4-2-3-9-7-13(25-15(9)12)16(21)20-17-19-11-6-5-10(27(18,22)23)8-14(11)26-17/h2-8H,1H3,(H2,18,22,23)(H,19,20,21).
What are the key properties of 7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40888296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).