N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide

C16H14N2O5S — CID 87181222

IUPACN-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cccc(N)c2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C16H14N2O5S/c1-9-13-6-5-12(19)8-14(13)23-16(20)15(9)24(21,22)18-11-4-2-3-10(17)7-11/h2-8,18-19H,17H2,1H3
InChIKeyWUDFWMPHUSGPHV-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.19
Rot. Bonds3

About N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide

N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide (PubChem CID 87181222) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide
PubChem CID87181222
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cccc(N)c2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C16H14N2O5S/c1-9-13-6-5-12(19)8-14(13)23-16(20)15(9)24(21,22)18-11-4-2-3-10(17)7-11/h2-8,18-19H,17H2,1H3
InChIKeyWUDFWMPHUSGPHV-UHFFFAOYSA-N
XLogP2.19
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide?
The IUPAC name of N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide (CID 87181222) is N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide is Cc1c(S(=O)(=O)Nc2cccc(N)c2)c(=O)oc2cc(O)ccc12.
What is the InChIKey of N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide?
The InChIKey is WUDFWMPHUSGPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-9-13-6-5-12(19)8-14(13)23-16(20)15(9)24(21,22)18-11-4-2-3-10(17)7-11/h2-8,18-19H,17H2,1H3.
What are the key properties of N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide?
N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide has a molecular weight of 346.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-7-hydroxy-4-methyl-2-oxochromene-3-sulfonamide is sourced from PubChem (CID 87181222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).