4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide

C19H15N3O4S — CID 1213546

IUPAC4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=C1O[C@H](Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccccc21
InChIInChI=1S/C19H15N3O4S/c23-19-16-6-2-1-5-15(16)18(26-19)21-13-8-10-14(11-9-13)27(24,25)22-17-7-3-4-12-20-17/h1-12,18,21H,(H,20,22)/t18-/m0/s1
InChIKeyTYARHTVRLDOZJF-SFHVURJKSA-N
MW381.41 g/mol
LogP3.16
Rot. Bonds5

About 4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide

4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 1213546) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID1213546
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=C1O[C@H](Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccccc21
InChIInChI=1S/C19H15N3O4S/c23-19-16-6-2-1-5-15(16)18(26-19)21-13-8-10-14(11-9-13)27(24,25)22-17-7-3-4-12-20-17/h1-12,18,21H,(H,20,22)/t18-/m0/s1
InChIKeyTYARHTVRLDOZJF-SFHVURJKSA-N
XLogP3.16
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 41297251
(3S)-3-(4-nitroanilino)-3H-2-benzofuran-1-one
CID 7460415
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
(3S)-3-[(5-methyl-1H-pyrazol-3-yl)amino]-3H-2-benzofuran-1-one
CID 40612411
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
4-(2-methylcyclopropyl)-N-pyridin-2-ylbenzenesulfonamide
CID 142447089
4-[[3-(4-methylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]amino]-N-pyridin-2-ylbenzenesulfonamide
CID 58398231

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide (CID 1213546) is 4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide is O=C1O[C@H](Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccccc21.
What is the InChIKey of 4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is TYARHTVRLDOZJF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-19-16-6-2-1-5-15(16)18(26-19)21-13-8-10-14(11-9-13)27(24,25)22-17-7-3-4-12-20-17/h1-12,18,21H,(H,20,22)/t18-/m0/s1.
What are the key properties of 4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide?
4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 381.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 1213546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).