4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide

C19H12ClFN2O5S — CID 4121565

IUPAC4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccccc1F)c1ccc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12ClFN2O5S/c20-13-5-1-4-8-17(13)29(27,28)18-10-9-12(11-16(18)23(25)26)19(24)22-15-7-3-2-6-14(15)21/h1-11H,(H,22,24)
InChIKeyHSECKZWIBONJSR-UHFFFAOYSA-N
MW434.83 g/mol
LogP4.47
Rot. Bonds5

About 4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide

4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide (PubChem CID 4121565) has the molecular formula C19H12ClFN2O5S and a molecular weight of 434.83 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide
PubChem CID4121565
Molecular FormulaC19H12ClFN2O5S
Molecular Weight434.83 g/mol
Exact Mass434.01
IUPAC Name4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccccc1F)c1ccc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12ClFN2O5S/c20-13-5-1-4-8-17(13)29(27,28)18-10-9-12(11-16(18)23(25)26)19(24)22-15-7-3-2-6-14(15)21/h1-11H,(H,22,24)
InChIKeyHSECKZWIBONJSR-UHFFFAOYSA-N
XLogP4.47
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
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-(2-chlorophenyl)-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 1309962
N-(4-fluorophenyl)-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 1310552
4-(3-chlorophenyl)sulfonyl-N-cyclohexyl-N-methyl-3-nitrobenzamide
CID 4293949
1-{4-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzoyl}azepane
CID 4293958
4-(4-Chlorobenzenesulfonyl)-3-acetamido-N-[(4-methylphenyl)methyl]benzamide
CID 4549288
1-Benzyl-4-{4-[(3-chlorophenyl)sulfonyl]-3-nitrobenzoyl}piperazine
CID 12004882
3-(acetylamino)-4-[(4-chlorophenyl)sulfonyl]-N-methylbenzamide
CID 4296219
4-[2-(4-Fluoroanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 2573092
N-Benzyl-3-butanamido-4-(4-chlorobenzenesulfonyl)benzamide
CID 4246708
[4-(2-Chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone
CID 12004883
N-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-3-nitrobenzamide
CID 2800266
3-[[4-(3,4-Dichlorophenyl)sulfanyl-3-nitrophenyl]methylamino]benzamide
CID 156010876

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide (CID 4121565) is 4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide is O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide?
The InChIKey is HSECKZWIBONJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O5S/c20-13-5-1-4-8-17(13)29(27,28)18-10-9-12(11-16(18)23(25)26)19(24)22-15-7-3-2-6-14(15)21/h1-11H,(H,22,24).
What are the key properties of 4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide?
4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide has a molecular weight of 434.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-N-(2-fluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 4121565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).