ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate

C16H24ClNO4S — CID 86962394

IUPACethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate
SMILESCCOC(=O)CCCS(=O)(=O)NCC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO4S/c1-4-22-15(19)9-6-10-23(20,21)18-12-16(2,3)13-7-5-8-14(17)11-13/h5,7-8,11,18H,4,6,9-10,12H2,1-3H3
InChIKeySAGLREASDDAXON-UHFFFAOYSA-N
MW361.89 g/mol
LogP2.88
Rot. Bonds9

About ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate

ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate (PubChem CID 86962394) has the molecular formula C16H24ClNO4S and a molecular weight of 361.89 g/mol. Its IUPAC name is ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate
PubChem CID86962394
Molecular FormulaC16H24ClNO4S
Molecular Weight361.89 g/mol
Exact Mass361.11
IUPAC Nameethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate
SMILESCCOC(=O)CCCS(=O)(=O)NCC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClNO4S/c1-4-22-15(19)9-6-10-23(20,21)18-12-16(2,3)13-7-5-8-14(17)11-13/h5,7-8,11,18H,4,6,9-10,12H2,1-3H3
InChIKeySAGLREASDDAXON-UHFFFAOYSA-N
XLogP2.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]acetate
CID 95763267
Methyl 4-[(3-chloro-4-fluorophenyl)methylsulfamoyl]butanoate
CID 62538258
Ethyl 4-[(4-chlorophenyl)methylsulfamoyl]butanoate
CID 53586430
ethyl (2S)-2-[(2-chlorophenyl)methylsulfonylamino]-3,3-dimethylbutanoate
CID 72101734
Methyl 3-[2-(4-chlorophenyl)ethylsulfamoyl]propanoate
CID 13698145
Methyl 2-[2-(4-chlorophenyl)ethylsulfamoyl]acetate
CID 102431071
Methyl 3-[2-(3-chlorophenyl)ethylsulfamoyl]propanoate
CID 13698144
3-[2-(3-Chlorophenyl)ethylsulfamoyl]propanoic acid
CID 28514238
4-[2-(3-Chlorophenyl)ethylsulfamoyl]butanoic acid
CID 43362059
4-[1-(3-Chlorophenyl)propan-2-ylsulfamoyl]butanoic acid
CID 43709695
3-[1-(3-Chlorophenyl)propan-2-ylsulfamoyl]propanoic acid
CID 43709697
2-[2-(3-Chlorophenyl)ethylsulfamoyl]propanoic acid
CID 54947855

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate?
The IUPAC name of ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate (CID 86962394) is ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate.
What is the SMILES notation for ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate?
The canonical SMILES for ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate is CCOC(=O)CCCS(=O)(=O)NCC(C)(C)c1cccc(Cl)c1.
What is the InChIKey of ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate?
The InChIKey is SAGLREASDDAXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO4S/c1-4-22-15(19)9-6-10-23(20,21)18-12-16(2,3)13-7-5-8-14(17)11-13/h5,7-8,11,18H,4,6,9-10,12H2,1-3H3.
What are the key properties of ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate?
ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate has a molecular weight of 361.89 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate is sourced from PubChem (CID 86962394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).