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

C19H17N3O5S — CID 70696642

IUPAC[4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C19H17N3O5S/c20-28(24,25)27-16-12-10-14(11-13-16)21-19(23)22-17-8-4-5-9-18(17)26-15-6-2-1-3-7-15/h1-13H,(H2,20,24,25)(H2,21,22,23)
InChIKeyNFUCEOQMBSDLLA-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.71
Rot. Bonds6

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

[4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70696642) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is [4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70696642
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name[4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C19H17N3O5S/c20-28(24,25)27-16-12-10-14(11-13-16)21-19(23)22-17-8-4-5-9-18(17)26-15-6-2-1-3-7-15/h1-13H,(H2,20,24,25)(H2,21,22,23)
InChIKeyNFUCEOQMBSDLLA-UHFFFAOYSA-N
XLogP3.71
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate (CID 70696642) is [4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of [4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is NFUCEOQMBSDLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c20-28(24,25)27-16-12-10-14(11-13-16)21-19(23)22-17-8-4-5-9-18(17)26-15-6-2-1-3-7-15/h1-13H,(H2,20,24,25)(H2,21,22,23).
What are the key properties of [4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 399.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-phenoxyphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70696642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).