2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide

C19H24N2O3S — CID 142667190

IUPAC2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide
SMILESCC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1C(N)=O
InChIInChI=1S/C19H24N2O3S/c1-12(2)14-9-7-10-15(13(3)4)18(14)21-25(23,24)17-11-6-5-8-16(17)19(20)22/h5-13,21H,1-4H3,(H2,20,22)
InChIKeyNBIVJDBOALKONY-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.83
Rot. Bonds6

About 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide

2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide (PubChem CID 142667190) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide
PubChem CID142667190
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide
SMILESCC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1C(N)=O
InChIInChI=1S/C19H24N2O3S/c1-12(2)14-9-7-10-15(13(3)4)18(14)21-25(23,24)17-11-6-5-8-16(17)19(20)22/h5-13,21H,1-4H3,(H2,20,22)
InChIKeyNBIVJDBOALKONY-UHFFFAOYSA-N
XLogP3.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide (CID 142667190) is 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide is CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1C(N)=O.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide?
The InChIKey is NBIVJDBOALKONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-12(2)14-9-7-10-15(13(3)4)18(14)21-25(23,24)17-11-6-5-8-16(17)19(20)22/h5-13,21H,1-4H3,(H2,20,22).
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide?
2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 142667190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).