4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide

C17H24ClN3O5S — CID 1258349

IUPAC4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H24ClN3O5S/c18-15-2-1-14(17(22)19-3-4-20-5-9-25-10-6-20)13-16(15)27(23,24)21-7-11-26-12-8-21/h1-2,13H,3-12H2,(H,19,22)
InChIKeyAMADVSLBSYFFQS-UHFFFAOYSA-N
MW417.92 g/mol
LogP0.42
Rot. Bonds6

About 4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1258349) has the molecular formula C17H24ClN3O5S and a molecular weight of 417.92 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1258349
Molecular FormulaC17H24ClN3O5S
Molecular Weight417.92 g/mol
Exact Mass417.11
IUPAC Name4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H24ClN3O5S/c18-15-2-1-14(17(22)19-3-4-20-5-9-25-10-6-20)13-16(15)27(23,24)21-7-11-26-12-8-21/h1-2,13H,3-12H2,(H,19,22)
InChIKeyAMADVSLBSYFFQS-UHFFFAOYSA-N
XLogP0.42
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 60635890
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2354229
1-[4-(4-Chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone
CID 2474213
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2531912
(2-Chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 4091740
1-[3-(2,6-Dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 4100781
4-chloro-3-(dimethylsulfamoyl)-N-[1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4840418
2-Chloro-5-(3-oxopiperazine-1-carbonyl)benzenesulfonamide
CID 4845772
[4-Chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone
CID 4877373
3-chloro-N-(4-((2R,6S)-2,6-dimethylmorpholine-4-carbonyl)benzyl)benzenesulfonamide
CID 984483
3-(1-azepanylsulfonyl)-N-[2-(4-morpholinyl)ethyl]benzamide
CID 1292590
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 16385430

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1258349) is 4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(NCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AMADVSLBSYFFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O5S/c18-15-2-1-14(17(22)19-3-4-20-5-9-25-10-6-20)13-16(15)27(23,24)21-7-11-26-12-8-21/h1-2,13H,3-12H2,(H,19,22).
What are the key properties of 4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 417.92 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1258349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).