2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide

C16H12ClNO5S — CID 21316621

IUPAC2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
SMILESCOc1ccc2cc(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)oc2c1
InChIInChI=1S/C16H12ClNO5S/c1-22-11-4-2-9-6-14(23-13(9)8-11)16(19)10-3-5-12(17)15(7-10)24(18,20)21/h2-8H,1H3,(H2,18,20,21)
InChIKeyYWBQVYNPUXYBDL-UHFFFAOYSA-N
MW365.79 g/mol
LogP2.97
Rot. Bonds4

About 2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide

2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide (PubChem CID 21316621) has the molecular formula C16H12ClNO5S and a molecular weight of 365.79 g/mol. Its IUPAC name is 2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
PubChem CID21316621
Molecular FormulaC16H12ClNO5S
Molecular Weight365.79 g/mol
Exact Mass365.01
IUPAC Name2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
SMILESCOc1ccc2cc(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)oc2c1
InChIInChI=1S/C16H12ClNO5S/c1-22-11-4-2-9-6-14(23-13(9)8-11)16(19)10-3-5-12(17)15(7-10)24(18,20)21/h2-8H,1H3,(H2,18,20,21)
InChIKeyYWBQVYNPUXYBDL-UHFFFAOYSA-N
XLogP2.97
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-4-fluorophenyl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 62915012
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
CID 58107445
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
CID 88797719
2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 4790784
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide
CID 45054358
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114737213
(3-ethylazulen-1-yl)-(6-methoxy-1-benzofuran-2-yl)methanone
CID 11012943

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide (CID 21316621) is 2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide is COc1ccc2cc(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)oc2c1.
What is the InChIKey of 2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide?
The InChIKey is YWBQVYNPUXYBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO5S/c1-22-11-4-2-9-6-14(23-13(9)8-11)16(19)10-3-5-12(17)15(7-10)24(18,20)21/h2-8H,1H3,(H2,18,20,21).
What are the key properties of 2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide?
2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide has a molecular weight of 365.79 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide is sourced from PubChem (CID 21316621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).