N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide

C20H24N2O4S — CID 10178364

IUPACN-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OC(CN1CCOCC1)CC2)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c23-27(24,19-4-2-1-3-5-19)21-17-8-6-16-7-9-18(26-20(16)14-17)15-22-10-12-25-13-11-22/h1-6,8,14,18,21H,7,9-13,15H2
InChIKeyJUSHGQIHSMKQER-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide

N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide (PubChem CID 10178364) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide
PubChem CID10178364
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OC(CN1CCOCC1)CC2)c1ccccc1
InChIInChI=1S/C20H24N2O4S/c23-27(24,19-4-2-1-3-5-19)21-17-8-6-16-7-9-18(26-20(16)14-17)15-22-10-12-25-13-11-22/h1-6,8,14,18,21H,7,9-13,15H2
InChIKeyJUSHGQIHSMKQER-UHFFFAOYSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide?
The IUPAC name of N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide (CID 10178364) is N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OC(CN1CCOCC1)CC2)c1ccccc1.
What is the InChIKey of N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide?
The InChIKey is JUSHGQIHSMKQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c23-27(24,19-4-2-1-3-5-19)21-17-8-6-16-7-9-18(26-20(16)14-17)15-22-10-12-25-13-11-22/h1-6,8,14,18,21H,7,9-13,15H2.
What are the key properties of N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide?
N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide is sourced from PubChem (CID 10178364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).