[4-(adamantane-1-carbonylamino)phenyl] sulfamate

C17H22N2O4S — CID 155816634

IUPAC[4-(adamantane-1-carbonylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H22N2O4S/c18-24(21,22)23-15-3-1-14(2-4-15)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)(H2,18,21,22)
InChIKeyGVPUYCLSISISPD-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.42
Rot. Bonds4

About [4-(adamantane-1-carbonylamino)phenyl] sulfamate

[4-(adamantane-1-carbonylamino)phenyl] sulfamate (PubChem CID 155816634) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is [4-(adamantane-1-carbonylamino)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(adamantane-1-carbonylamino)phenyl] sulfamate
PubChem CID155816634
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name[4-(adamantane-1-carbonylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H22N2O4S/c18-24(21,22)23-15-3-1-14(2-4-15)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)(H2,18,21,22)
InChIKeyGVPUYCLSISISPD-UHFFFAOYSA-N
XLogP2.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(adamantane-1-carbonylamino)phenyl] sulfamate?
The IUPAC name of [4-(adamantane-1-carbonylamino)phenyl] sulfamate (CID 155816634) is [4-(adamantane-1-carbonylamino)phenyl] sulfamate.
What is the SMILES notation for [4-(adamantane-1-carbonylamino)phenyl] sulfamate?
The canonical SMILES for [4-(adamantane-1-carbonylamino)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [4-(adamantane-1-carbonylamino)phenyl] sulfamate?
The InChIKey is GVPUYCLSISISPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c18-24(21,22)23-15-3-1-14(2-4-15)19-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,19,20)(H2,18,21,22).
What are the key properties of [4-(adamantane-1-carbonylamino)phenyl] sulfamate?
[4-(adamantane-1-carbonylamino)phenyl] sulfamate has a molecular weight of 350.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(adamantane-1-carbonylamino)phenyl] sulfamate is sourced from PubChem (CID 155816634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).