N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C21H24N2O6S — CID 16561402

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C21H24N2O6S/c1-27-19-7-6-15(30(25,26)23-9-12-28-13-10-23)14-17(19)21(24)22-18-8-11-29-20-5-3-2-4-16(18)20/h2-7,14,18H,8-13H2,1H3,(H,22,24)
InChIKeyKOCKHRRXLABKSU-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.97
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 16561402) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID16561402
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C21H24N2O6S/c1-27-19-7-6-15(30(25,26)23-9-12-28-13-10-23)14-17(19)21(24)22-18-8-11-29-20-5-3-2-4-16(18)20/h2-7,14,18H,8-13H2,1H3,(H,22,24)
InChIKeyKOCKHRRXLABKSU-UHFFFAOYSA-N
XLogP1.97
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 16561402) is N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KOCKHRRXLABKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-27-19-7-6-15(30(25,26)23-9-12-28-13-10-23)14-17(19)21(24)22-18-8-11-29-20-5-3-2-4-16(18)20/h2-7,14,18H,8-13H2,1H3,(H,22,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 432.50 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 16561402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).