methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate

C17H18ClNO4S — CID 18702049

IUPACmethyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO4S/c1-19(24(21,22)12-17(20)23-2)11-13-3-5-14(6-4-13)15-7-9-16(18)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyHCLUSGWXKYTIEI-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.94
Rot. Bonds6

About methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate

methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate (PubChem CID 18702049) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate
PubChem CID18702049
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Namemethyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO4S/c1-19(24(21,22)12-17(20)23-2)11-13-3-5-14(6-4-13)15-7-9-16(18)10-8-15/h3-10H,11-12H2,1-2H3
InChIKeyHCLUSGWXKYTIEI-UHFFFAOYSA-N
XLogP2.94
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl-[(4-phenylphenyl)methyl]sulfamoyl]acetate
CID 131721881
3-[(4-chlorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 43173105
methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate
CID 61456989
4-[(4-chlorophenyl)methyl-methylsulfamoyl]butanoic acid
CID 43362117
methyl 4-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]benzoate
CID 26057385
N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 56512990
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 99956217
methyl 3-[2-(4-chlorophenyl)ethyl-methylamino]propanoate
CID 115232554
2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide
CID 166406350
1-(4-chlorophenyl)-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110443542
methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate
CID 110908434
N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 31988550

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate?
The IUPAC name of methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate (CID 18702049) is methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate is COC(=O)CS(=O)(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate?
The InChIKey is HCLUSGWXKYTIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-19(24(21,22)12-17(20)23-2)11-13-3-5-14(6-4-13)15-7-9-16(18)10-8-15/h3-10H,11-12H2,1-2H3.
What are the key properties of methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate?
methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate has a molecular weight of 367.85 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-chlorophenyl)phenyl]methyl-methylsulfamoyl]acetate is sourced from PubChem (CID 18702049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).