[2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate

C21H19N3O6S2 — CID 102015752

IUPAC[2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)Oc2ccccc2/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H19N3O6S2/c1-15-6-10-19(11-7-15)32(28,29)24-21(25)30-20-5-3-2-4-16(20)14-23-17-8-12-18(13-9-17)31(22,26)27/h2-14H,1H3,(H,24,25)(H2,22,26,27)/b23-14+
InChIKeyBFBCZHMEPLUPSW-OEAKJJBVSA-N
MW473.53 g/mol
LogP2.87
Rot. Bonds6

About [2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate

[2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 102015752) has the molecular formula C21H19N3O6S2 and a molecular weight of 473.53 g/mol. Its IUPAC name is [2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Name[2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate
PubChem CID102015752
Molecular FormulaC21H19N3O6S2
Molecular Weight473.53 g/mol
Exact Mass473.07
IUPAC Name[2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)Oc2ccccc2/C=N/c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H19N3O6S2/c1-15-6-10-19(11-7-15)32(28,29)24-21(25)30-20-5-3-2-4-16(20)14-23-17-8-12-18(13-9-17)31(22,26)27/h2-14H,1H3,(H,24,25)(H2,22,26,27)/b23-14+
InChIKeyBFBCZHMEPLUPSW-OEAKJJBVSA-N
XLogP2.87
TPSA144.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
(2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate
CID 165353514
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate
CID 10017321
4-[(4-methoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 958545
[4-[(4-sulfamoylphenyl)methyliminomethyl]phenyl] N-(benzenesulfonyl)carbamate
CID 102015744
aminourea;4-methylbenzenesulfonamide
CID 174801132
4-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1275154
[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447
2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343
1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate
CID 110192023
(4-methylphenyl)sulfonylurea;urea
CID 160676948
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463

Frequently Asked Questions

What is the IUPAC name of [2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of [2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate (CID 102015752) is [2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for [2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for [2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate is Cc1ccc(S(=O)(=O)NC(=O)Oc2ccccc2/C=N/c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is BFBCZHMEPLUPSW-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H19N3O6S2/c1-15-6-10-19(11-7-15)32(28,29)24-21(25)30-20-5-3-2-4-16(20)14-23-17-8-12-18(13-9-17)31(22,26)27/h2-14H,1H3,(H,24,25)(H2,22,26,27)/b23-14+.
What are the key properties of [2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate?
[2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 473.53 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-sulfamoylphenyl)iminomethyl]phenyl] N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 102015752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).