3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide

C21H17ClN2O5S — CID 29252079

IUPAC3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H17ClN2O5S/c22-20-4-2-1-3-15(20)5-14-21(25)23-16-6-10-18(11-7-16)30(28,29)19-12-8-17(9-13-19)24(26)27/h1-4,6-13H,5,14H2,(H,23,25)
InChIKeyAHJUEIRPDLSBCA-UHFFFAOYSA-N
MW444.90 g/mol
LogP4.65
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide

3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide (PubChem CID 29252079) has the molecular formula C21H17ClN2O5S and a molecular weight of 444.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
PubChem CID29252079
Molecular FormulaC21H17ClN2O5S
Molecular Weight444.90 g/mol
Exact Mass444.05
IUPAC Name3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C21H17ClN2O5S/c22-20-4-2-1-3-15(20)5-14-21(25)23-16-6-10-18(11-7-16)30(28,29)19-12-8-17(9-13-19)24(26)27/h1-4,6-13H,5,14H2,(H,23,25)
InChIKeyAHJUEIRPDLSBCA-UHFFFAOYSA-N
XLogP4.65
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 54.65
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-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
CID 17178923
3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17178995
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide
CID 7254314
3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide
CID 38925954
3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622808
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide
CID 30932866
3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
CID 17178988
[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 134093092
N'-(benzenesulfonyl)-N-(4-nitrophenyl)propanediamide
CID 135052001
4-chloro-N-(4-nitrophenyl)butanamide
CID 4586248

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide (CID 29252079) is 3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide is O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide?
The InChIKey is AHJUEIRPDLSBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5S/c22-20-4-2-1-3-15(20)5-14-21(25)23-16-6-10-18(11-7-16)30(28,29)19-12-8-17(9-13-19)24(26)27/h1-4,6-13H,5,14H2,(H,23,25).
What are the key properties of 3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide?
3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide has a molecular weight of 444.90 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[4-(4-nitrophenyl)sulfonylphenyl]propanamide is sourced from PubChem (CID 29252079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).