benzyl(cyclohexylsulfamoyl)carbamic acid

C14H20N2O4S — CID 66859599

IUPACbenzyl(cyclohexylsulfamoyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H20N2O4S/c17-14(18)16(11-12-7-3-1-4-8-12)21(19,20)15-13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H,17,18)
InChIKeyVTEJGZFRCMPSJZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.33
Rot. Bonds5

About benzyl(cyclohexylsulfamoyl)carbamic acid

benzyl(cyclohexylsulfamoyl)carbamic acid (PubChem CID 66859599) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is benzyl(cyclohexylsulfamoyl)carbamic acid.

Molecular Properties

Compound Namebenzyl(cyclohexylsulfamoyl)carbamic acid
PubChem CID66859599
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namebenzyl(cyclohexylsulfamoyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H20N2O4S/c17-14(18)16(11-12-7-3-1-4-8-12)21(19,20)15-13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H,17,18)
InChIKeyVTEJGZFRCMPSJZ-UHFFFAOYSA-N
XLogP2.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl(cyclohexylsulfamoyl)carbamic acid?
The IUPAC name of benzyl(cyclohexylsulfamoyl)carbamic acid (CID 66859599) is benzyl(cyclohexylsulfamoyl)carbamic acid.
What is the SMILES notation for benzyl(cyclohexylsulfamoyl)carbamic acid?
The canonical SMILES for benzyl(cyclohexylsulfamoyl)carbamic acid is O=C(O)N(Cc1ccccc1)S(=O)(=O)NC1CCCCC1.
What is the InChIKey of benzyl(cyclohexylsulfamoyl)carbamic acid?
The InChIKey is VTEJGZFRCMPSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-14(18)16(11-12-7-3-1-4-8-12)21(19,20)15-13-9-5-2-6-10-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2,(H,17,18).
What are the key properties of benzyl(cyclohexylsulfamoyl)carbamic acid?
benzyl(cyclohexylsulfamoyl)carbamic acid has a molecular weight of 312.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(cyclohexylsulfamoyl)carbamic acid is sourced from PubChem (CID 66859599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).