N-(4-methylphenyl)-2-oxochromene-6-sulfonamide

C16H13NO4S — CID 13042905

IUPACN-(4-methylphenyl)-2-oxochromene-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C16H13NO4S/c1-11-2-5-13(6-3-11)17-22(19,20)14-7-8-15-12(10-14)4-9-16(18)21-15/h2-10,17H,1H3
InChIKeyHJHWVDRHLWDPFX-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.90
Rot. Bonds3

About N-(4-methylphenyl)-2-oxochromene-6-sulfonamide

N-(4-methylphenyl)-2-oxochromene-6-sulfonamide (PubChem CID 13042905) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-oxochromene-6-sulfonamide
PubChem CID13042905
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC NameN-(4-methylphenyl)-2-oxochromene-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C16H13NO4S/c1-11-2-5-13(6-3-11)17-22(19,20)14-7-8-15-12(10-14)4-9-16(18)21-15/h2-10,17H,1H3
InChIKeyHJHWVDRHLWDPFX-UHFFFAOYSA-N
XLogP2.90
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methyl-2-oxo-2H-chromen-7-yl)benzenesulfonamide
CID 2813126
N-(2,3-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 6473518
N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10247137
2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide
CID 11742187
(2E)-3-(3-(((4-Methoxyphenyl)sulfonyl)amino)phenyl)-2-propenoic acid
CID 805419
N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 893786
Ethyl (4-{[(4-methylphenyl)amino]sulfonyl}phenoxy)acetate
CID 894271
N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935157
N-(2-methoxyphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935598
(4-{[(4-Methylphenyl)amino]sulfonyl}phenoxy)acetic acid
CID 974279
4-fluoro-N-(4-methyl-2-oxo-2H-chromen-7-yl)benzenesulfonamide
CID 2813127

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-2-oxochromene-6-sulfonamide (CID 13042905) is N-(4-methylphenyl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-2-oxochromene-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-oxochromene-6-sulfonamide?
The InChIKey is HJHWVDRHLWDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-11-2-5-13(6-3-11)17-22(19,20)14-7-8-15-12(10-14)4-9-16(18)21-15/h2-10,17H,1H3.
What are the key properties of N-(4-methylphenyl)-2-oxochromene-6-sulfonamide?
N-(4-methylphenyl)-2-oxochromene-6-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 13042905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).