[4-(cyclohexanecarbonylamino)phenyl] sulfamate

C13H18N2O4S — CID 127046605

IUPAC[4-(cyclohexanecarbonylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C13H18N2O4S/c14-20(17,18)19-12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)(H2,14,17,18)
InChIKeyCBWMDBQKCUXSRN-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.79
Rot. Bonds4

About [4-(cyclohexanecarbonylamino)phenyl] sulfamate

[4-(cyclohexanecarbonylamino)phenyl] sulfamate (PubChem CID 127046605) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is [4-(cyclohexanecarbonylamino)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(cyclohexanecarbonylamino)phenyl] sulfamate
PubChem CID127046605
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name[4-(cyclohexanecarbonylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C13H18N2O4S/c14-20(17,18)19-12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)(H2,14,17,18)
InChIKeyCBWMDBQKCUXSRN-UHFFFAOYSA-N
XLogP1.79
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexanecarbonylamino)phenyl] sulfamate?
The IUPAC name of [4-(cyclohexanecarbonylamino)phenyl] sulfamate (CID 127046605) is [4-(cyclohexanecarbonylamino)phenyl] sulfamate.
What is the SMILES notation for [4-(cyclohexanecarbonylamino)phenyl] sulfamate?
The canonical SMILES for [4-(cyclohexanecarbonylamino)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of [4-(cyclohexanecarbonylamino)phenyl] sulfamate?
The InChIKey is CBWMDBQKCUXSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c14-20(17,18)19-12-8-6-11(7-9-12)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)(H2,14,17,18).
What are the key properties of [4-(cyclohexanecarbonylamino)phenyl] sulfamate?
[4-(cyclohexanecarbonylamino)phenyl] sulfamate has a molecular weight of 298.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexanecarbonylamino)phenyl] sulfamate is sourced from PubChem (CID 127046605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).