2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide

C14H12Cl2N2O4S — CID 100508533

IUPAC2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide
SMILESCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O4S/c1-2-17(11-4-3-5-12(9-11)18(19)20)23(21,22)14-8-10(15)6-7-13(14)16/h3-9H,2H2,1H3
InChIKeyLKYGWVAXGWZOBU-UHFFFAOYSA-N
MW375.23 g/mol
LogP4.12
Rot. Bonds5

About 2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide

2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide (PubChem CID 100508533) has the molecular formula C14H12Cl2N2O4S and a molecular weight of 375.23 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide
PubChem CID100508533
Molecular FormulaC14H12Cl2N2O4S
Molecular Weight375.23 g/mol
Exact Mass373.99
IUPAC Name2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide
SMILESCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O4S/c1-2-17(11-4-3-5-12(9-11)18(19)20)23(21,22)14-8-10(15)6-7-13(14)16/h3-9H,2H2,1H3
InChIKeyLKYGWVAXGWZOBU-UHFFFAOYSA-N
XLogP4.12
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 54.12
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

2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100508845
N-ethyl-4-methylsulfanyl-N-(3-nitrophenyl)benzenesulfonamide
CID 100518669
N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100506692
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
CID 55327646
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418
3-(2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-nitroanilino)propanoic acid
CID 50894227
N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100507191
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
CID 100509655
N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
N-ethyl-3-nitro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 100520801
5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733551

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide (CID 100508533) is 2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide is CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide?
The InChIKey is LKYGWVAXGWZOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4S/c1-2-17(11-4-3-5-12(9-11)18(19)20)23(21,22)14-8-10(15)6-7-13(14)16/h3-9H,2H2,1H3.
What are the key properties of 2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide?
2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide has a molecular weight of 375.23 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 100508533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).