N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

C16H25ClN3O4S+ — CID 7810899

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H](C)O1
InChIInChI=1S/C16H24ClN3O4S/c1-11-8-20(9-12(2)24-11)10-16(21)18-13-5-6-14(17)15(7-13)25(22,23)19(3)4/h5-7,11-12H,8-10H2,1-4H3,(H,18,21)/p+1/t11-,12+
InChIKeyHJNNEXVMYWHUST-TXEJJXNPSA-O
MW390.91 g/mol
LogP0.22
Rot. Bonds5

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (PubChem CID 7810899) has the molecular formula C16H25ClN3O4S+ and a molecular weight of 390.91 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
PubChem CID7810899
Molecular FormulaC16H25ClN3O4S+
Molecular Weight390.91 g/mol
Exact Mass390.12
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
SMILESC[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H](C)O1
InChIInChI=1S/C16H24ClN3O4S/c1-11-8-20(9-12(2)24-11)10-16(21)18-13-5-6-14(17)15(7-13)25(22,23)19(3)4/h5-7,11-12H,8-10H2,1-4H3,(H,18,21)/p+1/t11-,12+
InChIKeyHJNNEXVMYWHUST-TXEJJXNPSA-O
XLogP0.22
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 7810608
N-(3,4-dichlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2653002
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2238896
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
N-(3-cyanophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 8899697
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 7995548
1-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908447
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7345527
1-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908446
N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2474971
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(3-phenoxyphenyl)acetamide
CID 2608440

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide (CID 7810899) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is C[C@@H]1C[NH+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H](C)O1.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
The InChIKey is HJNNEXVMYWHUST-TXEJJXNPSA-O. The full InChI is InChI=1S/C16H24ClN3O4S/c1-11-8-20(9-12(2)24-11)10-16(21)18-13-5-6-14(17)15(7-13)25(22,23)19(3)4/h5-7,11-12H,8-10H2,1-4H3,(H,18,21)/p+1/t11-,12+.
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide has a molecular weight of 390.91 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide is sourced from PubChem (CID 7810899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).