5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C21H21ClN2O5S — CID 27702531

IUPAC5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C21H21ClN2O5S/c22-18-5-6-19-17(11-18)12-20(29-19)21(25)23-13-15-3-1-2-4-16(15)14-30(26,27)24-7-9-28-10-8-24/h1-6,11-12H,7-10,13-14H2,(H,23,25)
InChIKeyJJMNKNPMKSIIFN-UHFFFAOYSA-N
MW448.93 g/mol
LogP3.18
Rot. Bonds6

About 5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 27702531) has the molecular formula C21H21ClN2O5S and a molecular weight of 448.93 g/mol. Its IUPAC name is 5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID27702531
Molecular FormulaC21H21ClN2O5S
Molecular Weight448.93 g/mol
Exact Mass448.09
IUPAC Name5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C21H21ClN2O5S/c22-18-5-6-19-17(11-18)12-20(29-19)21(25)23-13-15-3-1-2-4-16(15)14-30(26,27)24-7-9-28-10-8-24/h1-6,11-12H,7-10,13-14H2,(H,23,25)
InChIKeyJJMNKNPMKSIIFN-UHFFFAOYSA-N
XLogP3.18
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-hydroxy-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 18120484
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 17442191
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 51219508
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24541809
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 24541794
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119275552

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 27702531) is 5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is JJMNKNPMKSIIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5S/c22-18-5-6-19-17(11-18)12-20(29-19)21(25)23-13-15-3-1-2-4-16(15)14-30(26,27)24-7-9-28-10-8-24/h1-6,11-12H,7-10,13-14H2,(H,23,25).
What are the key properties of 5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 27702531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).