[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate

C15H21ClN2O5S — CID 2534754

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
SMILESCC(C)N(C(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C
InChIInChI=1S/C15H21ClN2O5S/c1-9(2)18(10(3)4)14(19)8-23-15(20)11-5-6-12(16)13(7-11)24(17,21)22/h5-7,9-10H,8H2,1-4H3,(H2,17,21,22)
InChIKeyJSGWVUUQWHLEEE-UHFFFAOYSA-N
MW376.86 g/mol
LogP1.79
Rot. Bonds6

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate (PubChem CID 2534754) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
PubChem CID2534754
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
SMILESCC(C)N(C(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C
InChIInChI=1S/C15H21ClN2O5S/c1-9(2)18(10(3)4)14(19)8-23-15(20)11-5-6-12(16)13(7-11)24(17,21)22/h5-7,9-10H,8H2,1-4H3,(H2,17,21,22)
InChIKeyJSGWVUUQWHLEEE-UHFFFAOYSA-N
XLogP1.79
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate (CID 2534754) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is CC(C)N(C(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The InChIKey is JSGWVUUQWHLEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-9(2)18(10(3)4)14(19)8-23-15(20)11-5-6-12(16)13(7-11)24(17,21)22/h5-7,9-10H,8H2,1-4H3,(H2,17,21,22).
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate has a molecular weight of 376.86 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 2534754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).