4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide

C12H8Cl2N2O5S — CID 2798123

IUPAC4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8Cl2N2O5S/c13-8-2-1-3-9(14)12(8)21-11-5-4-7(22(15,19)20)6-10(11)16(17)18/h1-6H,(H2,15,19,20)
InChIKeyLAYGBJBDXIHFEQ-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.34
Rot. Bonds4

About 4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide

4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide (PubChem CID 2798123) has the molecular formula C12H8Cl2N2O5S and a molecular weight of 363.18 g/mol. Its IUPAC name is 4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide
PubChem CID2798123
Molecular FormulaC12H8Cl2N2O5S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC Name4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8Cl2N2O5S/c13-8-2-1-3-9(14)12(8)21-11-5-4-7(22(15,19)20)6-10(11)16(17)18/h1-6H,(H2,15,19,20)
InChIKeyLAYGBJBDXIHFEQ-UHFFFAOYSA-N
XLogP3.34
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-dichlorophenyl)methoxy]-3-nitrobenzenesulfonamide
CID 52554320
4-(2-aminoethoxy)-3-nitrobenzenesulfonamide
CID 62347424
4-(4-acetyl-2-nitrophenoxy)-3-nitrobenzenesulfonamide
CID 33381315
4-(4-bromo-2-fluorophenoxy)-3-nitrobenzenesulfonamide
CID 9112472
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
3-nitro-4-(piperidin-4-ylmethoxy)benzenesulfonamide
CID 62349516
[5-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanamine
CID 107717651
4-(3-methylsulfanylpropoxy)-3-nitrobenzenesulfonamide
CID 67227511
1,3,5-trichloro-2-(2-nitrophenoxy)benzene
CID 2306205
3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
CID 107716974
3-chloro-4-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717213
5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide (CID 2798123) is 4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(Oc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide?
The InChIKey is LAYGBJBDXIHFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O5S/c13-8-2-1-3-9(14)12(8)21-11-5-4-7(22(15,19)20)6-10(11)16(17)18/h1-6H,(H2,15,19,20).
What are the key properties of 4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide?
4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide has a molecular weight of 363.18 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenoxy)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 2798123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).