N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide

C16H11Cl2NO5S — CID 88797719

IUPACN,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
SMILESCOc1cccc2cc(C(=O)c3ccc(Cl)c(S(=O)(=O)NCl)c3)oc12
InChIInChI=1S/C16H11Cl2NO5S/c1-23-12-4-2-3-10-7-13(24-16(10)12)15(20)9-5-6-11(17)14(8-9)25(21,22)19-18/h2-8,19H,1H3
InChIKeyQVRZYYMYWSZXHT-UHFFFAOYSA-N
MW400.24 g/mol
LogP3.76
Rot. Bonds5

About N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide

N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide (PubChem CID 88797719) has the molecular formula C16H11Cl2NO5S and a molecular weight of 400.24 g/mol. Its IUPAC name is N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
PubChem CID88797719
Molecular FormulaC16H11Cl2NO5S
Molecular Weight400.24 g/mol
Exact Mass398.97
IUPAC NameN,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
SMILESCOc1cccc2cc(C(=O)c3ccc(Cl)c(S(=O)(=O)NCl)c3)oc12
InChIInChI=1S/C16H11Cl2NO5S/c1-23-12-4-2-3-10-7-13(24-16(10)12)15(20)9-5-6-11(17)14(8-9)25(21,22)19-18/h2-8,19H,1H3
InChIKeyQVRZYYMYWSZXHT-UHFFFAOYSA-N
XLogP3.76
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
CID 21316621
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
CID 115810736
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 104666670
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78878860
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598

Frequently Asked Questions

What is the IUPAC name of N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide?
The IUPAC name of N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide (CID 88797719) is N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide?
The canonical SMILES for N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide is COc1cccc2cc(C(=O)c3ccc(Cl)c(S(=O)(=O)NCl)c3)oc12.
What is the InChIKey of N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide?
The InChIKey is QVRZYYMYWSZXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO5S/c1-23-12-4-2-3-10-7-13(24-16(10)12)15(20)9-5-6-11(17)14(8-9)25(21,22)19-18/h2-8,19H,1H3.
What are the key properties of N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide?
N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide has a molecular weight of 400.24 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide is sourced from PubChem (CID 88797719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).