[4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate

C17H15N3O4S — CID 70692551

IUPAC[4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
InChIKeyAIRAKQOXEIFHQE-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.07
Rot. Bonds4

About [4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate

[4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate (PubChem CID 70692551) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is [4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate
PubChem CID70692551
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name[4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21)
InChIKeyAIRAKQOXEIFHQE-UHFFFAOYSA-N
XLogP3.07
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate?
The IUPAC name of [4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate (CID 70692551) is [4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate.
What is the SMILES notation for [4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate?
The canonical SMILES for [4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of [4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate?
The InChIKey is AIRAKQOXEIFHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c18-25(22,23)24-14-10-8-13(9-11-14)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,22,23)(H2,19,20,21).
What are the key properties of [4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate?
[4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate has a molecular weight of 357.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalen-1-ylcarbamoylamino)phenyl] sulfamate is sourced from PubChem (CID 70692551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).