3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide

C12H8Cl2N2O4S — CID 8523374

IUPAC3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-2-1-3-10(6-8)21(19,20)15-9-4-5-11(14)12(7-9)16(17)18/h1-7,15H
InChIKeyMEDYDCRCABLKDK-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.70
Rot. Bonds4

About 3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide

3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide (PubChem CID 8523374) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
PubChem CID8523374
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-2-1-3-10(6-8)21(19,20)15-9-4-5-11(14)12(7-9)16(17)18/h1-7,15H
InChIKeyMEDYDCRCABLKDK-UHFFFAOYSA-N
XLogP3.70
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.70
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

N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
N-(4-chloro-3-nitrophenyl)-3-cyanobenzenesulfonamide
CID 8523387
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745
2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
CID 61051683
4-chloro-N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26969002
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82813222
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide (CID 8523374) is 3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide is O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide?
The InChIKey is MEDYDCRCABLKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-8-2-1-3-10(6-8)21(19,20)15-9-4-5-11(14)12(7-9)16(17)18/h1-7,15H.
What are the key properties of 3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide?
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide has a molecular weight of 347.18 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 8523374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).