[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium

C13H11Cl3N3O2S+ — CID 143399978

IUPAC[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium
SMILES[NH2+]=NCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3N3O2S/c14-9-2-1-8(7-18-17)13(5-9)19-22(20,21)10-3-4-11(15)12(16)6-10/h1-6,17,19H,7H2/p+1
InChIKeyPDOOAUPOKYIWLS-UHFFFAOYSA-O
MW379.68 g/mol
LogP3.16
Rot. Bonds5

About [4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium

[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium (PubChem CID 143399978) has the molecular formula C13H11Cl3N3O2S+ and a molecular weight of 379.68 g/mol. Its IUPAC name is [4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium.

Molecular Properties

Compound Name[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium
PubChem CID143399978
Molecular FormulaC13H11Cl3N3O2S+
Molecular Weight379.68 g/mol
Exact Mass377.96
IUPAC Name[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium
SMILES[NH2+]=NCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3N3O2S/c14-9-2-1-8(7-18-17)13(5-9)19-22(20,21)10-3-4-11(15)12(16)6-10/h1-6,17,19H,7H2/p+1
InChIKeyPDOOAUPOKYIWLS-UHFFFAOYSA-O
XLogP3.16
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.68
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 71214710
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 143400006
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
4-amino-3-bromo-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 62057861
4-bromo-N-(2,5-dichlorophenyl)-3-fluorobenzenesulfonamide
CID 97161953
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
N-(2,5-dichlorophenyl)-4-(methylamino)benzenesulfonamide
CID 43332038

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium?
The IUPAC name of [4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium (CID 143399978) is [4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium.
What is the SMILES notation for [4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium?
The canonical SMILES for [4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium is [NH2+]=NCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium?
The InChIKey is PDOOAUPOKYIWLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10Cl3N3O2S/c14-9-2-1-8(7-18-17)13(5-9)19-22(20,21)10-3-4-11(15)12(16)6-10/h1-6,17,19H,7H2/p+1.
What are the key properties of [4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium?
[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium has a molecular weight of 379.68 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium is sourced from PubChem (CID 143399978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).