1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

C18H17ClN2O5S — CID 7828925

IUPAC1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCc1cc2oc(=O)cc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)c2cc1Cl
InChIInChI=1S/C18H17ClN2O5S/c1-11-6-16-14(8-15(11)19)12(7-18(23)26-16)9-21-10-13(4-5-17(21)22)27(24,25)20(2)3/h4-8,10H,9H2,1-3H3
InChIKeyQJBAGDWCCNGNEH-UHFFFAOYSA-N
MW408.86 g/mol
LogP2.22
Rot. Bonds4

About 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide

1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 7828925) has the molecular formula C18H17ClN2O5S and a molecular weight of 408.86 g/mol. Its IUPAC name is 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID7828925
Molecular FormulaC18H17ClN2O5S
Molecular Weight408.86 g/mol
Exact Mass408.05
IUPAC Name1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCc1cc2oc(=O)cc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)c2cc1Cl
InChIInChI=1S/C18H17ClN2O5S/c1-11-6-16-14(8-15(11)19)12(7-18(23)26-16)9-21-10-13(4-5-17(21)22)27(24,25)20(2)3/h4-8,10H,9H2,1-3H3
InChIKeyQJBAGDWCCNGNEH-UHFFFAOYSA-N
XLogP2.22
TPSA89.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24527575
3-chloro-1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 2467447
6-chloro-4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one
CID 2124723
1-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 2633443
6-chloro-7-methyl-4-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]chromen-2-one
CID 9434013
6-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one
CID 2078040
6-chloro-4-[[(1,2-dimethylpiperidin-4-yl)-methylamino]methyl]-7-methylchromen-2-one
CID 71873666
6-chloro-4-(isoquinolin-2-ium-2-ylmethyl)-7-methylchromen-2-one
CID 8828917
N-(4-chloro-2-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7828841
6-chloro-7-methyl-4-[[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]chromen-2-one
CID 52528933
6-chloro-4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-7-methylchromen-2-one
CID 32732791
benzhydryl-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]azanium
CID 7516039

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 7828925) is 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is Cc1cc2oc(=O)cc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)c2cc1Cl.
What is the InChIKey of 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is QJBAGDWCCNGNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5S/c1-11-6-16-14(8-15(11)19)12(7-18(23)26-16)9-21-10-13(4-5-17(21)22)27(24,25)20(2)3/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 408.86 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 7828925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).