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

C21H17ClN2O5S — CID 19211584

IUPACN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide
SMILESCc1ccc(C)c(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClN2O5S/c1-14-7-8-15(2)20(13-14)23(30(28,29)17-11-9-16(22)10-12-17)21(25)18-5-3-4-6-19(18)24(26)27/h3-13H,1-2H3
InChIKeyWSILNZQKTPFRLI-UHFFFAOYSA-N
MW444.90 g/mol
LogP4.90
Rot. Bonds5

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

N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide (PubChem CID 19211584) has the molecular formula C21H17ClN2O5S and a molecular weight of 444.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide
PubChem CID19211584
Molecular FormulaC21H17ClN2O5S
Molecular Weight444.90 g/mol
Exact Mass444.05
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide
SMILESCc1ccc(C)c(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClN2O5S/c1-14-7-8-15(2)20(13-14)23(30(28,29)17-11-9-16(22)10-12-17)21(25)18-5-3-4-6-19(18)24(26)27/h3-13H,1-2H3
InChIKeyWSILNZQKTPFRLI-UHFFFAOYSA-N
XLogP4.90
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 54.90
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

2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210700
2-chloro-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-5-nitrobenzamide
CID 19211287
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 19220313
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)benzamide
CID 19210622
N-(benzenesulfonyl)-2-chloro-N-(2,5-dimethylphenyl)benzamide
CID 19210699
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210994
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19210451
N-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210993
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-2-methyl-3-nitrobenzamide
CID 19219288
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)pentanamide
CID 19210421
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-2-methyl-3-nitrobenzamide
CID 19219283
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide (CID 19211584) is N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide is Cc1ccc(C)c(N(C(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide?
The InChIKey is WSILNZQKTPFRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5S/c1-14-7-8-15(2)20(13-14)23(30(28,29)17-11-9-16(22)10-12-17)21(25)18-5-3-4-6-19(18)24(26)27/h3-13H,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide?
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide has a molecular weight of 444.90 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 19211584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).