[4-(benzhydrylcarbamoylamino)phenyl] sulfamate

C20H19N3O4S — CID 70681987

IUPAC[4-(benzhydrylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O4S/c21-28(25,26)27-18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24)
InChIKeyYIMAEQRCVGOOIK-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.18
Rot. Bonds6

About [4-(benzhydrylcarbamoylamino)phenyl] sulfamate

[4-(benzhydrylcarbamoylamino)phenyl] sulfamate (PubChem CID 70681987) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is [4-(benzhydrylcarbamoylamino)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(benzhydrylcarbamoylamino)phenyl] sulfamate
PubChem CID70681987
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name[4-(benzhydrylcarbamoylamino)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19N3O4S/c21-28(25,26)27-18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24)
InChIKeyYIMAEQRCVGOOIK-UHFFFAOYSA-N
XLogP3.18
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(benzhydrylcarbamoylamino)phenyl] sulfamate?
The IUPAC name of [4-(benzhydrylcarbamoylamino)phenyl] sulfamate (CID 70681987) is [4-(benzhydrylcarbamoylamino)phenyl] sulfamate.
What is the SMILES notation for [4-(benzhydrylcarbamoylamino)phenyl] sulfamate?
The canonical SMILES for [4-(benzhydrylcarbamoylamino)phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(benzhydrylcarbamoylamino)phenyl] sulfamate?
The InChIKey is YIMAEQRCVGOOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c21-28(25,26)27-18-13-11-17(12-14-18)22-20(24)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,21,25,26)(H2,22,23,24).
What are the key properties of [4-(benzhydrylcarbamoylamino)phenyl] sulfamate?
[4-(benzhydrylcarbamoylamino)phenyl] sulfamate has a molecular weight of 397.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzhydrylcarbamoylamino)phenyl] sulfamate is sourced from PubChem (CID 70681987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).