phenyl N-(4-aminophenyl)sulfamate

C12H12N2O3S — CID 174862819

IUPACphenyl N-(4-aminophenyl)sulfamate
SMILESNc1ccc(NS(=O)(=O)Oc2ccccc2)cc1
InChIInChI=1S/C12H12N2O3S/c13-10-6-8-11(9-7-10)14-18(15,16)17-12-4-2-1-3-5-12/h1-9,14H,13H2
InChIKeyDRPWRIMFQAIMCE-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.00
Rot. Bonds4

About phenyl N-(4-aminophenyl)sulfamate

phenyl N-(4-aminophenyl)sulfamate (PubChem CID 174862819) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is phenyl N-(4-aminophenyl)sulfamate.

Molecular Properties

Compound Namephenyl N-(4-aminophenyl)sulfamate
PubChem CID174862819
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Namephenyl N-(4-aminophenyl)sulfamate
SMILESNc1ccc(NS(=O)(=O)Oc2ccccc2)cc1
InChIInChI=1S/C12H12N2O3S/c13-10-6-8-11(9-7-10)14-18(15,16)17-12-4-2-1-3-5-12/h1-9,14H,13H2
InChIKeyDRPWRIMFQAIMCE-UHFFFAOYSA-N
XLogP2.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

phenyl N-phenylsulfamate
CID 13042751
phenyl N-(3-amino-4-methylphenyl)sulfamate
CID 175312801
aniline;N-phenylmethanesulfonamide
CID 157318284
N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide
CID 3451294
N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
CID 80685946
1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
CID 139179736
4-phenoxyaniline
CID 158390066
phenyl N-benzoylsulfamate
CID 165129244
N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43602626
4-N-diphenylphosphorylbenzene-1,4-diamine
CID 71676342
benzene;(sulfamoylamino)benzene
CID 174742453
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-aminophenyl)sulfamate?
The IUPAC name of phenyl N-(4-aminophenyl)sulfamate (CID 174862819) is phenyl N-(4-aminophenyl)sulfamate.
What is the SMILES notation for phenyl N-(4-aminophenyl)sulfamate?
The canonical SMILES for phenyl N-(4-aminophenyl)sulfamate is Nc1ccc(NS(=O)(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-(4-aminophenyl)sulfamate?
The InChIKey is DRPWRIMFQAIMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-10-6-8-11(9-7-10)14-18(15,16)17-12-4-2-1-3-5-12/h1-9,14H,13H2.
What are the key properties of phenyl N-(4-aminophenyl)sulfamate?
phenyl N-(4-aminophenyl)sulfamate has a molecular weight of 264.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-aminophenyl)sulfamate is sourced from PubChem (CID 174862819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).