N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide

C19H14ClN3O3S2 — CID 71728031

IUPACN-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1SCc1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C19H14ClN3O3S2/c20-15-9-16(19(22-11-15)27-12-13-4-3-7-21-10-13)23-28(24,25)18-8-14-5-1-2-6-17(14)26-18/h1-11,23H,12H2
InChIKeyWSSPTLQCWDAOTB-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.97
Rot. Bonds6

About N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide

N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide (PubChem CID 71728031) has the molecular formula C19H14ClN3O3S2 and a molecular weight of 431.93 g/mol. Its IUPAC name is N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide
PubChem CID71728031
Molecular FormulaC19H14ClN3O3S2
Molecular Weight431.93 g/mol
Exact Mass431.02
IUPAC NameN-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cnc1SCc1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C19H14ClN3O3S2/c20-15-9-16(19(22-11-15)27-12-13-4-3-7-21-10-13)23-28(24,25)18-8-14-5-1-2-6-17(14)26-18/h1-11,23H,12H2
InChIKeyWSSPTLQCWDAOTB-UHFFFAOYSA-N
XLogP4.97
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970598
[4-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfanylmethyl]phenyl]-oxoazanium hydroxide
CID 161491040
N-[5-chloro-2-[[3-(methanesulfonamido)phenyl]methylsulfanyl]phenyl]-1-benzofuran-2-sulfonamide
CID 71714815
N-[2-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]disulfanyl]-5-chlorophenyl]-1-benzofuran-2-sulfonamide
CID 86667125
N-[5-chloro-2-[(3-nitrophenyl)methylsulfanyl]phenyl]-1-benzofuran-2-sulfonamide
CID 57377888
N-[5-chloro-2-(ethylsulfonylamino)phenyl]-1-benzofuran-2-sulfonamide
CID 67970231
N-(5-fluoro-2-phenylsulfanyl-3-pyridinyl)-1-benzofuran-2-sulfonamide
CID 71726722
N-[2-[(3-aminophenyl)methylsulfanyl]-5-chlorophenyl]-1-benzofuran-2-sulfonamide;N-[2-[(3-aminophenyl)methylsulfinyl]-5-chlorophenyl]-1-benzofuran-2-sulfonamide
CID 88536903
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenoxypyridine-3-sulfonamide
CID 67969992
ethyl 3-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfonylpyridine-4-carboxylate
CID 118579993
5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfanylmethyl]-N-hydroxy-N-methyl-1H-pyrazol-3-amine oxide
CID 130412255
3-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenoxy]methyl]benzoic acid
CID 71726486

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide (CID 71728031) is N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide is O=S(=O)(Nc1cc(Cl)cnc1SCc1cccnc1)c1cc2ccccc2o1.
What is the InChIKey of N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide?
The InChIKey is WSSPTLQCWDAOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S2/c20-15-9-16(19(22-11-15)27-12-13-4-3-7-21-10-13)23-28(24,25)18-8-14-5-1-2-6-17(14)26-18/h1-11,23H,12H2.
What are the key properties of N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide?
N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide has a molecular weight of 431.93 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(pyridin-3-ylmethylsulfanyl)-3-pyridinyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 71728031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).