2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide

C16H14N2O4S — CID 123615632

IUPAC2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccccc2N)c(=O)oc2ccccc12
InChIInChI=1S/C16H14N2O4S/c1-10-11-6-2-4-8-13(11)22-16(19)15(10)18-23(20,21)14-9-5-3-7-12(14)17/h2-9,18H,17H2,1H3
InChIKeyNHJZHBXJFSMFLP-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide

2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide (PubChem CID 123615632) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide
PubChem CID123615632
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccccc2N)c(=O)oc2ccccc12
InChIInChI=1S/C16H14N2O4S/c1-10-11-6-2-4-8-13(11)22-16(19)15(10)18-23(20,21)14-9-5-3-7-12(14)17/h2-9,18H,17H2,1H3
InChIKeyNHJZHBXJFSMFLP-UHFFFAOYSA-N
XLogP2.48
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935188
N-(4-methyl-2-oxo-2H-chromen-7-yl)benzenesulfonamide
CID 2813126
N-(2,3-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 6473518
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935157
N-(2-methoxyphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935598
N1-(6-{[(4-methylphenyl)sulfonyl]amino}-2-oxo-2H-chromen-3-yl)acetamide
CID 2798637
4-fluoro-N-(4-methyl-2-oxo-2H-chromen-7-yl)benzenesulfonamide
CID 2813127
N-[4-(Ethylamino)-2-oxo-2H-chromen-3-YL]-4-nitrobenzene-1-sulfonamide
CID 20108704
N-(4-{[2-Oxo-4-(propylamino)-2H-chromen-3-YL]sulfamoyl}phenyl)propanamide
CID 20950144
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide (CID 123615632) is 2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccccc2N)c(=O)oc2ccccc12.
What is the InChIKey of 2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide?
The InChIKey is NHJZHBXJFSMFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-11-6-2-4-8-13(11)22-16(19)15(10)18-23(20,21)14-9-5-3-7-12(14)17/h2-9,18H,17H2,1H3.
What are the key properties of 2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide?
2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-2-oxochromen-3-yl)benzenesulfonamide is sourced from PubChem (CID 123615632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).