N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide

C18H17NO5S — CID 2730484

IUPACN-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide
SMILESCOCc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12
InChIInChI=1S/C18H17NO5S/c1-12-3-6-15(7-4-12)25(21,22)19-14-5-8-16-13(11-23-2)9-18(20)24-17(16)10-14/h3-10,19H,11H2,1-2H3
InChIKeyOBEUUKBLPWLARH-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.05
Rot. Bonds5

About N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide

N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide (PubChem CID 2730484) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide
PubChem CID2730484
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC NameN-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide
SMILESCOCc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12
InChIInChI=1S/C18H17NO5S/c1-12-3-6-15(7-4-12)25(21,22)19-14-5-8-16-13(11-23-2)9-18(20)24-17(16)10-14/h3-10,19H,11H2,1-2H3
InChIKeyOBEUUKBLPWLARH-UHFFFAOYSA-N
XLogP3.05
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
(7-acetamido-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 2484383
N-(4-methyl-2-oxo-2H-chromen-7-yl)benzenesulfonamide
CID 2813126
7-Amino-4-(methoxymethyl)-2H-chromen-2-one
CID 519442
N-(2-methoxyphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 935598
4-fluoro-N-(4-methyl-2-oxo-2H-chromen-7-yl)benzenesulfonamide
CID 2813127
2-[(4-Acetamidophenyl)sulfonylamino]acetic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester
CID 4840994
1-(Benzenesulfonyl)-3-(4-methyl-2-oxochromen-7-yl)urea
CID 118719971
1-(4-Methyl-2-oxochromen-7-yl)-3-(4-methylphenyl)sulfonylurea
CID 118719972
1-(4-Methyl-2-oxochromen-7-yl)-3-(2-methylphenyl)sulfonylurea
CID 118719973
1-(4-Fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 118719975
N-(4-methoxyphenyl)-2-oxo-2H-chromene-6-sulfonamide
CID 2234375

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide (CID 2730484) is N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide is COCc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12.
What is the InChIKey of N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide?
The InChIKey is OBEUUKBLPWLARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-12-3-6-15(7-4-12)25(21,22)19-14-5-8-16-13(11-23-2)9-18(20)24-17(16)10-14/h3-10,19H,11H2,1-2H3.
What are the key properties of N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide?
N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide has a molecular weight of 359.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-2-oxochromen-7-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2730484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).