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

C15H13ClN2O4S — CID 73447778

IUPACN-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide
SMILESCN(c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C15H13ClN2O4S/c1-17(14-8-7-13(16)11-15(14)18(19)20)23(21,22)10-9-12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyVYXDHZWZKSBSRI-UHFFFAOYSA-N
MW352.80 g/mol
LogP3.69
Rot. Bonds5

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

N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide (PubChem CID 73447778) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide
PubChem CID73447778
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC NameN-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide
SMILESCN(c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C15H13ClN2O4S/c1-17(14-8-7-13(16)11-15(14)18(19)20)23(21,22)10-9-12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyVYXDHZWZKSBSRI-UHFFFAOYSA-N
XLogP3.69
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 53.69
H-Bond Donors ≤ 50
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

(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide
CID 51169798
N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide
CID 73447777
1-(4-chloro-2-nitrophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 26943113
4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
CID 67905475
N-[3-(4-chloro-N,2-dinitroanilino)propyl]-N-(4-chloro-2-nitrophenyl)nitramide
CID 135083420
1-(N-(4-chloro-2-nitrophenyl)anilino)ethanol
CID 153374065
N-acetyl-N-(4-chloro-2-nitrophenyl)acetamide
CID 53401332
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
(E)-2-(4-chlorophenyl)-N-phenyl-N-propan-2-ylethenesulfonamide
CID 56541872
4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline
CID 73186903
(2,4-dinitrophenyl) (E)-2-phenylethenesulfonate
CID 10593983
2-phenylethenesulfonate;tris(4-chlorophenyl)-methylphosphanium
CID 88618335

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide (CID 73447778) is N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide is CN(c1ccc(Cl)cc1[N+](=O)[O-])S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide?
The InChIKey is VYXDHZWZKSBSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-17(14-8-7-13(16)11-15(14)18(19)20)23(21,22)10-9-12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide?
N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide has a molecular weight of 352.80 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-N-methyl-2-phenylethenesulfonamide is sourced from PubChem (CID 73447778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).