3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide

C12H7Cl3N2O4S — CID 8523386

IUPAC3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C12H7Cl3N2O4S/c13-7-3-8(14)5-10(4-7)22(20,21)16-9-1-2-11(15)12(6-9)17(18)19/h1-6,16H
InChIKeyJVYMJMAJFRNSGH-UHFFFAOYSA-N
MW381.62 g/mol
LogP4.36
Rot. Bonds4

About 3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide

3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide (PubChem CID 8523386) has the molecular formula C12H7Cl3N2O4S and a molecular weight of 381.62 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
PubChem CID8523386
Molecular FormulaC12H7Cl3N2O4S
Molecular Weight381.62 g/mol
Exact Mass379.92
IUPAC Name3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C12H7Cl3N2O4S/c13-7-3-8(14)5-10(4-7)22(20,21)16-9-1-2-11(15)12(6-9)17(18)19/h1-6,16H
InChIKeyJVYMJMAJFRNSGH-UHFFFAOYSA-N
XLogP4.36
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.62
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778
2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
CID 61051683
4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
N-(4-chloro-3-nitrophenyl)-3-cyanobenzenesulfonamide
CID 8523387
N-(4-chloro-3-nitrophenyl)-4-hexylbenzenesulfonamide
CID 84552306
N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide
CID 62999282
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745
N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide (CID 8523386) is 3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide is O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl.
What is the InChIKey of 3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide?
The InChIKey is JVYMJMAJFRNSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O4S/c13-7-3-8(14)5-10(4-7)22(20,21)16-9-1-2-11(15)12(6-9)17(18)19/h1-6,16H.
What are the key properties of 3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide?
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide has a molecular weight of 381.62 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 8523386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).