2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide

C20H20N2O6S2 — CID 30713149

IUPAC2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ccc2o1
InChIInChI=1S/C20H20N2O6S2/c23-20-10-7-15-13-17(8-9-19(15)28-20)29(24,25)21-16-5-4-6-18(14-16)30(26,27)22-11-2-1-3-12-22/h4-10,13-14,21H,1-3,11-12H2
InChIKeyUPTBFAALOMWUHT-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.77
Rot. Bonds5

About 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide

2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide (PubChem CID 30713149) has the molecular formula C20H20N2O6S2 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide
PubChem CID30713149
Molecular FormulaC20H20N2O6S2
Molecular Weight448.52 g/mol
Exact Mass448.08
IUPAC Name2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ccc2o1
InChIInChI=1S/C20H20N2O6S2/c23-20-10-7-15-13-17(8-9-19(15)28-20)29(24,25)21-16-5-4-6-18(14-16)30(26,27)22-11-2-1-3-12-22/h4-10,13-14,21H,1-3,11-12H2
InChIKeyUPTBFAALOMWUHT-UHFFFAOYSA-N
XLogP2.77
TPSA113.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935188
N-(2,3-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 6473518
2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide
CID 11742187
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935157
N-(2-methoxyphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935598
4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1303250
2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide
CID 10949696
N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide
CID 11112956
N,N-diethyl-3-[(4-hydroxy-2-oxochromen-3-yl)diazenyl]benzenesulfonamide
CID 135475570
N-(2,5-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 2987592
N-(4-methoxyphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 2234375
N-(2-fluorophenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 6458636

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide?
The IUPAC name of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide (CID 30713149) is 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)ccc2o1.
What is the InChIKey of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide?
The InChIKey is UPTBFAALOMWUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S2/c23-20-10-7-15-13-17(8-9-19(15)28-20)29(24,25)21-16-5-4-6-18(14-16)30(26,27)22-11-2-1-3-12-22/h4-10,13-14,21H,1-3,11-12H2.
What are the key properties of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide?
2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide has a molecular weight of 448.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)chromene-6-sulfonamide is sourced from PubChem (CID 30713149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).