N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide

C14H11ClN2O4S — CID 73447777

IUPACN-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C14H11ClN2O4S/c15-12-6-7-13(14(10-12)17(18)19)16-22(20,21)9-8-11-4-2-1-3-5-11/h1-10,16H
InChIKeyMTZVYUXZKJLLBN-UHFFFAOYSA-N
MW338.77 g/mol
LogP3.66
Rot. Bonds5

About N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide

N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide (PubChem CID 73447777) has the molecular formula C14H11ClN2O4S and a molecular weight of 338.77 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide
PubChem CID73447777
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide
SMILESO=[N+]([O-])c1cc(Cl)ccc1NS(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C14H11ClN2O4S/c15-12-6-7-13(14(10-12)17(18)19)16-22(20,21)9-8-11-4-2-1-3-5-11/h1-10,16H
InChIKeyMTZVYUXZKJLLBN-UHFFFAOYSA-N
XLogP3.66
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 53.66
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

N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide
CID 73447778
1-(4-chloro-2-nitrophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 26943113
(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide
CID 26969723
N-(4-chloro-2-nitrophenyl)ethanesulfonamide
CID 60642818
N-[5-chloro-2-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]furan-2-carboxamide
CID 39344855
(E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide
CID 6263676
N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine
CID 84761026
(E)-N-(6-chloro-2-methyl-3-pyridinyl)-2-phenylethenesulfonamide
CID 107266757
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6293145
4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
CID 76869846
N-(3-chloro-4-cyano-2-methylphenyl)-2-phenylethenesulfonamide
CID 68870191
N-(4-chloro-2-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 55345435

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide (CID 73447777) is N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide is O=[N+]([O-])c1cc(Cl)ccc1NS(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide?
The InChIKey is MTZVYUXZKJLLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S/c15-12-6-7-13(14(10-12)17(18)19)16-22(20,21)9-8-11-4-2-1-3-5-11/h1-10,16H.
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide?
N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide has a molecular weight of 338.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 73447777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).