2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide

C21H21ClN4O4S — CID 92672176

IUPAC2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1-n1ccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H21ClN4O4S/c22-19-6-5-17(31(28,29)26-9-11-30-12-10-26)13-18(19)21(27)24-14-16-3-1-2-4-20(16)25-8-7-23-15-25/h1-8,13,15H,9-12,14H2,(H,24,27)
InChIKeyPUWOXLFLZUJGCW-UHFFFAOYSA-N
MW460.94 g/mol
LogP2.48
Rot. Bonds6

About 2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 92672176) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is 2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID92672176
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC Name2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1-n1ccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H21ClN4O4S/c22-19-6-5-17(31(28,29)26-9-11-30-12-10-26)13-18(19)21(27)24-14-16-3-1-2-4-20(16)25-8-7-23-15-25/h1-8,13,15H,9-12,14H2,(H,24,27)
InChIKeyPUWOXLFLZUJGCW-UHFFFAOYSA-N
XLogP2.48
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-ylsulfonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-2-methylbenzamide
CID 46763297
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 30382359
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-sulfamoylbenzamide
CID 131914367
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
CID 17484284
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
2-chloro-5-morpholin-4-ylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 39688336
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
N-(3-imidazol-1-ylpropyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3505589
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 21008889

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide (CID 92672176) is 2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide is O=C(NCc1ccccc1-n1ccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PUWOXLFLZUJGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c22-19-6-5-17(31(28,29)26-9-11-30-12-10-26)13-18(19)21(27)24-14-16-3-1-2-4-20(16)25-8-7-23-15-25/h1-8,13,15H,9-12,14H2,(H,24,27).
What are the key properties of 2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 460.94 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 92672176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).