[4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate

C19H17N3O4S — CID 70688361

IUPAC[4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C19H17N3O4S/c20-27(24,25)26-16-12-10-15(11-13-16)21-19(23)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,20,24,25)(H2,21,22,23)
InChIKeyIBEFZIYKUFEEEH-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.58
Rot. Bonds5

About [4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate

[4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70688361) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is [4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70688361
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name[4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C19H17N3O4S/c20-27(24,25)26-16-12-10-15(11-13-16)21-19(23)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,20,24,25)(H2,21,22,23)
InChIKeyIBEFZIYKUFEEEH-UHFFFAOYSA-N
XLogP3.58
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate (CID 70688361) is [4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of [4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is IBEFZIYKUFEEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c20-27(24,25)26-16-12-10-15(11-13-16)21-19(23)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,20,24,25)(H2,21,22,23).
What are the key properties of [4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 383.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-phenylphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70688361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).