[2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid

C19H24N2O4S — CID 57012038

IUPAC[2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid
SMILESCC(C)c1cccc(C(C)C)c1N(C(=O)O)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-13(2)16-11-8-12-17(14(3)4)18(16)21(19(22)23)26(24,25)20-15-9-6-5-7-10-15/h5-14,20H,1-4H3,(H,22,23)
InChIKeyMBDWIRWZVOCUKJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.77
Rot. Bonds6

About [2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid

[2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid (PubChem CID 57012038) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid
PubChem CID57012038
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name[2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid
SMILESCC(C)c1cccc(C(C)C)c1N(C(=O)O)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-13(2)16-11-8-12-17(14(3)4)18(16)21(19(22)23)26(24,25)20-15-9-6-5-7-10-15/h5-14,20H,1-4H3,(H,22,23)
InChIKeyMBDWIRWZVOCUKJ-UHFFFAOYSA-N
XLogP4.77
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid (CID 57012038) is [2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid is CC(C)c1cccc(C(C)C)c1N(C(=O)O)S(=O)(=O)Nc1ccccc1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid?
The InChIKey is MBDWIRWZVOCUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13(2)16-11-8-12-17(14(3)4)18(16)21(19(22)23)26(24,25)20-15-9-6-5-7-10-15/h5-14,20H,1-4H3,(H,22,23).
What are the key properties of [2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid?
[2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid has a molecular weight of 376.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]-(phenylsulfamoyl)carbamic acid is sourced from PubChem (CID 57012038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).