4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide

C12H8Cl2N2O4S — CID 2888137

IUPAC4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)10-5-6-11(14)12(7-10)16(17)18/h1-7,15H
InChIKeyVVRJAJZQRIVRJL-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.70
Rot. Bonds4

About 4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide

4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide (PubChem CID 2888137) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
PubChem CID2888137
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)10-5-6-11(14)12(7-10)16(17)18/h1-7,15H
InChIKeyVVRJAJZQRIVRJL-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

4-amino-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 43348560
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26967231
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745
2-chloro-N-(4-chloro-3-nitrophenyl)pyridine-4-sulfonamide
CID 61051683
4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 26965519
4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide
CID 26969862
4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 2873288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide (CID 2888137) is 4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
The InChIKey is VVRJAJZQRIVRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)10-5-6-11(14)12(7-10)16(17)18/h1-7,15H.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide?
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide 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 4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 2888137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).