[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate

C15H15N3O6S — CID 70696645

IUPAC[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C15H15N3O6S/c16-25(20,21)24-12-4-1-10(2-5-12)17-15(19)18-11-3-6-13-14(9-11)23-8-7-22-13/h1-6,9H,7-8H2,(H2,16,20,21)(H2,17,18,19)
InChIKeySNZSCSKYUIOHAI-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.68
Rot. Bonds4

About [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate

[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate (PubChem CID 70696645) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate
PubChem CID70696645
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C15H15N3O6S/c16-25(20,21)24-12-4-1-10(2-5-12)17-15(19)18-11-3-6-13-14(9-11)23-8-7-22-13/h1-6,9H,7-8H2,(H2,16,20,21)(H2,17,18,19)
InChIKeySNZSCSKYUIOHAI-UHFFFAOYSA-N
XLogP1.68
TPSA128.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate?
The IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate (CID 70696645) is [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate.
What is the SMILES notation for [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate?
The canonical SMILES for [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate?
The InChIKey is SNZSCSKYUIOHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c16-25(20,21)24-12-4-1-10(2-5-12)17-15(19)18-11-3-6-13-14(9-11)23-8-7-22-13/h1-6,9H,7-8H2,(H2,16,20,21)(H2,17,18,19).
What are the key properties of [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate?
[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate has a molecular weight of 365.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate is sourced from PubChem (CID 70696645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).