[4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate

C19H17N3O5S — CID 70694602

IUPAC[4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C19H17N3O5S/c20-28(24,25)27-17-11-9-14(10-12-17)21-19(23)22-15-5-4-8-18(13-15)26-16-6-2-1-3-7-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
InChIKeyDSXXTEFWYKBSEK-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.71
Rot. Bonds6

About [4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate

[4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70694602) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is [4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70694602
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name[4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C19H17N3O5S/c20-28(24,25)27-17-11-9-14(10-12-17)21-19(23)22-15-5-4-8-18(13-15)26-16-6-2-1-3-7-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
InChIKeyDSXXTEFWYKBSEK-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-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate (CID 70694602) is [4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of [4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is DSXXTEFWYKBSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c20-28(24,25)27-17-11-9-14(10-12-17)21-19(23)22-15-5-4-8-18(13-15)26-16-6-2-1-3-7-16/h1-13H,(H2,20,24,25)(H2,21,22,23).
What are the key properties of [4-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(3-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-[(3-phenoxyphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70694602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).