phenyl N-(3-amino-4-methylphenyl)sulfamate

C13H14N2O3S — CID 175312801

IUPACphenyl N-(3-amino-4-methylphenyl)sulfamate
SMILESCc1ccc(NS(=O)(=O)Oc2ccccc2)cc1N
InChIInChI=1S/C13H14N2O3S/c1-10-7-8-11(9-13(10)14)15-19(16,17)18-12-5-3-2-4-6-12/h2-9,15H,14H2,1H3
InChIKeyYJQHFSVLGPQFRM-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.31
Rot. Bonds4

About phenyl N-(3-amino-4-methylphenyl)sulfamate

phenyl N-(3-amino-4-methylphenyl)sulfamate (PubChem CID 175312801) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is phenyl N-(3-amino-4-methylphenyl)sulfamate.

Molecular Properties

Compound Namephenyl N-(3-amino-4-methylphenyl)sulfamate
PubChem CID175312801
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namephenyl N-(3-amino-4-methylphenyl)sulfamate
SMILESCc1ccc(NS(=O)(=O)Oc2ccccc2)cc1N
InChIInChI=1S/C13H14N2O3S/c1-10-7-8-11(9-13(10)14)15-19(16,17)18-12-5-3-2-4-6-12/h2-9,15H,14H2,1H3
InChIKeyYJQHFSVLGPQFRM-UHFFFAOYSA-N
XLogP2.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

phenyl N-(4-aminophenyl)sulfamate
CID 174862819
phenyl N-phenylsulfamate
CID 13042751
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide
CID 39433050
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
4-methyl-1-N-(propylsulfamoyl)benzene-1,3-diamine
CID 114804266
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
1-N-methoxy-4-methylbenzene-1,3-diamine
CID 87287100
N-(3-amino-4-methylphenyl)-2-methoxy-2-phenylacetamide
CID 62099062

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-amino-4-methylphenyl)sulfamate?
The IUPAC name of phenyl N-(3-amino-4-methylphenyl)sulfamate (CID 175312801) is phenyl N-(3-amino-4-methylphenyl)sulfamate.
What is the SMILES notation for phenyl N-(3-amino-4-methylphenyl)sulfamate?
The canonical SMILES for phenyl N-(3-amino-4-methylphenyl)sulfamate is Cc1ccc(NS(=O)(=O)Oc2ccccc2)cc1N.
What is the InChIKey of phenyl N-(3-amino-4-methylphenyl)sulfamate?
The InChIKey is YJQHFSVLGPQFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-10-7-8-11(9-13(10)14)15-19(16,17)18-12-5-3-2-4-6-12/h2-9,15H,14H2,1H3.
What are the key properties of phenyl N-(3-amino-4-methylphenyl)sulfamate?
phenyl N-(3-amino-4-methylphenyl)sulfamate has a molecular weight of 278.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-amino-4-methylphenyl)sulfamate is sourced from PubChem (CID 175312801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).