N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide

C19H20N2O6S — CID 171983012

IUPACN-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1cccc2c1OCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O6S/c22-19(20-12-15-2-1-3-17-18(15)27-13-26-17)14-4-6-16(7-5-14)28(23,24)21-8-10-25-11-9-21/h1-7H,8-13H2,(H,20,22)
InChIKeyAJJNZLBJGWOBLK-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.37
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide

N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 171983012) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID171983012
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1cccc2c1OCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O6S/c22-19(20-12-15-2-1-3-17-18(15)27-13-26-17)14-4-6-16(7-5-14)28(23,24)21-8-10-25-11-9-21/h1-7H,8-13H2,(H,20,22)
InChIKeyAJJNZLBJGWOBLK-UHFFFAOYSA-N
XLogP1.37
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzodioxole-4-carboxamide
CID 55859557
4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
CID 110642032
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide
CID 61212849
4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide
CID 115294563
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
N-(1,3-benzodioxol-4-ylmethyl)-3-bromo-4-methylbenzamide
CID 79466746

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide (CID 171983012) is N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is O=C(NCc1cccc2c1OCO2)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AJJNZLBJGWOBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c22-19(20-12-15-2-1-3-17-18(15)27-13-26-17)14-4-6-16(7-5-14)28(23,24)21-8-10-25-11-9-21/h1-7H,8-13H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 404.44 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 171983012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).