4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide

C22H27ClN2O5S — CID 41306963

IUPAC4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C22H27ClN2O5S/c1-4-11-29-20-8-6-5-7-19(20)24-22(26)17-9-10-18(23)21(12-17)31(27,28)25-13-15(2)30-16(3)14-25/h5-10,12,15-16H,4,11,13-14H2,1-3H3,(H,24,26)/t15-,16-/m1/s1
InChIKeyQJBSENVZHKVHLG-HZPDHXFCSA-N
MW466.99 g/mol
LogP4.18
Rot. Bonds7

About 4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide

4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide (PubChem CID 41306963) has the molecular formula C22H27ClN2O5S and a molecular weight of 466.99 g/mol. Its IUPAC name is 4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide
PubChem CID41306963
Molecular FormulaC22H27ClN2O5S
Molecular Weight466.99 g/mol
Exact Mass466.13
IUPAC Name4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C22H27ClN2O5S/c1-4-11-29-20-8-6-5-7-19(20)24-22(26)17-9-10-18(23)21(12-17)31(27,28)25-13-15(2)30-16(3)14-25/h5-10,12,15-16H,4,11,13-14H2,1-3H3,(H,24,26)/t15-,16-/m1/s1
InChIKeyQJBSENVZHKVHLG-HZPDHXFCSA-N
XLogP4.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 16551113
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CID 16545821
4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43009398
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
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CID 26898070
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 24640372
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CID 55335559
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide
CID 18273667
4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
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4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 42905920
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide?
The IUPAC name of 4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide (CID 41306963) is 4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide is CCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1.
What is the InChIKey of 4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide?
The InChIKey is QJBSENVZHKVHLG-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H27ClN2O5S/c1-4-11-29-20-8-6-5-7-19(20)24-22(26)17-9-10-18(23)21(12-17)31(27,28)25-13-15(2)30-16(3)14-25/h5-10,12,15-16H,4,11,13-14H2,1-3H3,(H,24,26)/t15-,16-/m1/s1.
What are the key properties of 4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide?
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide has a molecular weight of 466.99 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 41306963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).