N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide

C20H17N3O5S — CID 118733949

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NCc3coc4ccccc4c3=O)cc2)no1
InChIInChI=1S/C20H17N3O5S/c1-13-10-19(22-28-13)23-29(25,26)16-8-6-15(7-9-16)21-11-14-12-27-18-5-3-2-4-17(18)20(14)24/h2-10,12,21H,11H2,1H3,(H,22,23)
InChIKeyRWIBHZKMPHHIQW-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.50
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide

N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide (PubChem CID 118733949) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide
PubChem CID118733949
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NCc3coc4ccccc4c3=O)cc2)no1
InChIInChI=1S/C20H17N3O5S/c1-13-10-19(22-28-13)23-29(25,26)16-8-6-15(7-9-16)21-11-14-12-27-18-5-3-2-4-17(18)20(14)24/h2-10,12,21H,11H2,1H3,(H,22,23)
InChIKeyRWIBHZKMPHHIQW-UHFFFAOYSA-N
XLogP3.50
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
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2-methoxy-N-(5-methyl-3-isoxazolyl)-5-(4-morpholinylsulfonyl)benzamide
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4-methoxy-3-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}-N-phenylbenzamide
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N-{4-[({[3-(4-methoxyphenyl)-5-isoxazolyl]methyl}amino)sulfonyl]phenyl}acetamide
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(2E)-3-(2-methoxyphenyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}prop-2-enamide
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CID 2299067
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2-ethoxy-benzamide
CID 3119935
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-4-oxo-4H-chromene-2-carboxamide
CID 16452325
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide (CID 118733949) is N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(NCc3coc4ccccc4c3=O)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide?
The InChIKey is RWIBHZKMPHHIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-13-10-19(22-28-13)23-29(25,26)16-8-6-15(7-9-16)21-11-14-12-27-18-5-3-2-4-17(18)20(14)24/h2-10,12,21H,11H2,1H3,(H,22,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide has a molecular weight of 411.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-[(4-oxochromen-3-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 118733949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).