2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide

C21H16Cl2N2O5S — CID 19211287

IUPAC2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide
SMILESCc1ccc(C)c(N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H16Cl2N2O5S/c1-13-3-4-14(2)20(11-13)24(31(29,30)17-8-5-15(22)6-9-17)21(26)18-12-16(25(27)28)7-10-19(18)23/h3-12H,1-2H3
InChIKeyWPBFMRRUGDTKFP-UHFFFAOYSA-N
MW479.34 g/mol
LogP5.55
Rot. Bonds5

About 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide

2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide (PubChem CID 19211287) has the molecular formula C21H16Cl2N2O5S and a molecular weight of 479.34 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide
PubChem CID19211287
Molecular FormulaC21H16Cl2N2O5S
Molecular Weight479.34 g/mol
Exact Mass478.02
IUPAC Name2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide
SMILESCc1ccc(C)c(N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H16Cl2N2O5S/c1-13-3-4-14(2)20(11-13)24(31(29,30)17-8-5-15(22)6-9-17)21(26)18-12-16(25(27)28)7-10-19(18)23/h3-12H,1-2H3
InChIKeyWPBFMRRUGDTKFP-UHFFFAOYSA-N
XLogP5.55
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.34
LogP ≤ 55.55
H-Bond Donors ≤ 50
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

N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide
CID 19211584
2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210700
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210994
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210622
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 19220313
N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide
CID 19210699
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19210451
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
CID 19210421
2-chloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-nitrobenzamide
CID 33340755
N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 19218656
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210993
2-(4-bromophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)acetamide
CID 19212751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide (CID 19211287) is 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide is Cc1ccc(C)c(N(C(=O)c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide?
The InChIKey is WPBFMRRUGDTKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O5S/c1-13-3-4-14(2)20(11-13)24(31(29,30)17-8-5-15(22)6-9-17)21(26)18-12-16(25(27)28)7-10-19(18)23/h3-12H,1-2H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide?
2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide has a molecular weight of 479.34 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide is sourced from PubChem (CID 19211287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).