[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate

C18H19ClN2O5S — CID 9410046

IUPAC[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESC[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C(=O)N(C)C
InChIInChI=1S/C18H19ClN2O5S/c1-12(17(22)21(2)3)26-18(23)13-4-10-16(11-5-13)27(24,25)20-15-8-6-14(19)7-9-15/h4-12,20H,1-3H3/t12-/m1/s1
InChIKeyPRASUCVOAKCJCH-GFCCVEGCSA-N
MW410.88 g/mol
LogP2.77
Rot. Bonds6

About [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate

[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate (PubChem CID 9410046) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate
PubChem CID9410046
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESC[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C(=O)N(C)C
InChIInChI=1S/C18H19ClN2O5S/c1-12(17(22)21(2)3)26-18(23)13-4-10-16(11-5-13)27(24,25)20-15-8-6-14(19)7-9-15/h4-12,20H,1-3H3/t12-/m1/s1
InChIKeyPRASUCVOAKCJCH-GFCCVEGCSA-N
XLogP2.77
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate
CID 55404159
[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 55316848
propan-2-yl 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7938904
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2371702
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225
[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 8644524
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
methyl (2S)-2-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]propanoate
CID 71516349
propan-2-yl 4-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]benzoate
CID 71898733
propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43056299
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate (CID 9410046) is [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate is C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C(=O)N(C)C.
What is the InChIKey of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is PRASUCVOAKCJCH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-12(17(22)21(2)3)26-18(23)13-4-10-16(11-5-13)27(24,25)20-15-8-6-14(19)7-9-15/h4-12,20H,1-3H3/t12-/m1/s1.
What are the key properties of [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate?
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 410.88 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 9410046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).