[4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate

C14H12N4O4S — CID 70696639

IUPAC[4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate
SMILESN#Cc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H12N4O4S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
InChIKeyQEZZEWBRAXYKME-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.78
Rot. Bonds4

About [4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate

[4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70696639) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is [4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70696639
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC Name[4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate
SMILESN#Cc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H12N4O4S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
InChIKeyQEZZEWBRAXYKME-UHFFFAOYSA-N
XLogP1.78
TPSA134.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ureidophenyl sulfamate ring derivative 3p
CID 53342705
[4-[(2,3,4,5,6-Pentafluorophenyl)carbamoylamino]phenyl] sulfamate
CID 60155120
[4-(2-Phenylethylcarbamoylamino)phenyl] sulfamate
CID 60155121
[4-[(2-Phenylphenyl)carbamoylamino]phenyl] sulfamate
CID 70688361
[4-[(2-Propan-2-ylphenyl)carbamoylamino]phenyl] sulfamate
CID 70694604
[4-[(4-Methylphenyl)methylcarbamoylamino]phenyl] sulfamate
CID 70681986
[4-[(2,3,4-Trifluorophenyl)carbamoylamino]phenyl] sulfamate
CID 70684100
[4-[(4-Iodophenyl)carbamoylamino]phenyl] sulfamate
CID 70692549
[4-[(4-Benzylphenyl)carbamoylamino]phenyl] sulfamate
CID 70681984
[4-(Benzhydrylcarbamoylamino)phenyl] sulfamate
CID 70681987
[4-[(4-Propan-2-ylphenyl)carbamoylamino]phenyl] sulfamate
CID 70684103
[4-[(4-Phenylphenyl)carbamoylamino]phenyl] sulfamate
CID 70696640

Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate (CID 70696639) is [4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate is N#Cc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1.
What is the InChIKey of [4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is QEZZEWBRAXYKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c15-9-10-1-3-11(4-2-10)17-14(19)18-12-5-7-13(8-6-12)22-23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19).
What are the key properties of [4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate?
[4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 332.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyanophenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70696639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).