2-methylpropyl 4-(benzenesulfonamido)benzoate

C17H19NO4S — CID 805921

IUPAC2-methylpropyl 4-(benzenesulfonamido)benzoate
SMILESCC(C)COC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-13(2)12-22-17(19)14-8-10-15(11-9-14)18-23(20,21)16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3
InChIKeyQMUCMJNGOPXPQU-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.30
Rot. Bonds6

About 2-methylpropyl 4-(benzenesulfonamido)benzoate

2-methylpropyl 4-(benzenesulfonamido)benzoate (PubChem CID 805921) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-methylpropyl 4-(benzenesulfonamido)benzoate.

Molecular Properties

Compound Name2-methylpropyl 4-(benzenesulfonamido)benzoate
PubChem CID805921
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-methylpropyl 4-(benzenesulfonamido)benzoate
SMILESCC(C)COC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-13(2)12-22-17(19)14-8-10-15(11-9-14)18-23(20,21)16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3
InChIKeyQMUCMJNGOPXPQU-UHFFFAOYSA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 4-[[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylamino]benzoate
CID 19258628
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 2450471
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 55313712
4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650129
2-methylpropyl 4-methylsulfonylbenzoate
CID 19433711
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(benzenesulfonamido)benzoate?
The IUPAC name of 2-methylpropyl 4-(benzenesulfonamido)benzoate (CID 805921) is 2-methylpropyl 4-(benzenesulfonamido)benzoate.
What is the SMILES notation for 2-methylpropyl 4-(benzenesulfonamido)benzoate?
The canonical SMILES for 2-methylpropyl 4-(benzenesulfonamido)benzoate is CC(C)COC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-methylpropyl 4-(benzenesulfonamido)benzoate?
The InChIKey is QMUCMJNGOPXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13(2)12-22-17(19)14-8-10-15(11-9-14)18-23(20,21)16-6-4-3-5-7-16/h3-11,13,18H,12H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(benzenesulfonamido)benzoate?
2-methylpropyl 4-(benzenesulfonamido)benzoate has a molecular weight of 333.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(benzenesulfonamido)benzoate is sourced from PubChem (CID 805921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).