methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate

C16H26N2O4S — CID 42960032

IUPACmethyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate
SMILESCCN(CC)C(C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1C
InChIInChI=1S/C16H26N2O4S/c1-6-18(7-2)13(4)11-17-23(20,21)15-10-14(16(19)22-5)9-8-12(15)3/h8-10,13,17H,6-7,11H2,1-5H3
InChIKeyWACFZWWFFYBJHV-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.79
Rot. Bonds8

About methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate

methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate (PubChem CID 42960032) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate
PubChem CID42960032
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Namemethyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate
SMILESCCN(CC)C(C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1C
InChIInChI=1S/C16H26N2O4S/c1-6-18(7-2)13(4)11-17-23(20,21)15-10-14(16(19)22-5)9-8-12(15)3/h8-10,13,17H,6-7,11H2,1-5H3
InChIKeyWACFZWWFFYBJHV-UHFFFAOYSA-N
XLogP1.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-aminopropylsulfamoyl)-4-methylbenzoate
CID 55229717
methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-4-methylbenzoate
CID 103836778
N-[2-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 60532350
methyl 3-[[4-(diethylamino)phenyl]methylsulfamoyl]-4-methylbenzoate
CID 100515423
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
CID 112502252
methyl 3-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-4-methylbenzoate
CID 39999060
methyl 3-[2-(aziridin-1-yl)ethylsulfamoyl]-4-methylbenzoate
CID 170563671
methyl 3-[2-(2-methoxyethylamino)ethylsulfamoyl]-4-methylbenzoate
CID 120717524
methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 967558
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 4289965
methyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62541476
ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120711506

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate?
The IUPAC name of methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate (CID 42960032) is methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate?
The canonical SMILES for methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate is CCN(CC)C(C)CNS(=O)(=O)c1cc(C(=O)OC)ccc1C.
What is the InChIKey of methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate?
The InChIKey is WACFZWWFFYBJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-6-18(7-2)13(4)11-17-23(20,21)15-10-14(16(19)22-5)9-8-12(15)3/h8-10,13,17H,6-7,11H2,1-5H3.
What are the key properties of methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate?
methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate has a molecular weight of 342.46 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 42960032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).