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

C15H14Cl2N2O4S — CID 100508845

IUPAC2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
SMILESCCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O4S/c1-3-18(13-5-4-6-14(10(13)2)19(20)21)24(22,23)15-9-11(16)7-8-12(15)17/h4-9H,3H2,1-2H3
InChIKeyDIAATYYIPIFCRH-UHFFFAOYSA-N
MW389.26 g/mol
LogP4.43
Rot. Bonds5

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

2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide (PubChem CID 100508845) has the molecular formula C15H14Cl2N2O4S and a molecular weight of 389.26 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
PubChem CID100508845
Molecular FormulaC15H14Cl2N2O4S
Molecular Weight389.26 g/mol
Exact Mass388.01
IUPAC Name2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
SMILESCCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O4S/c1-3-18(13-5-4-6-14(10(13)2)19(20)21)24(22,23)15-9-11(16)7-8-12(15)17/h4-9H,3H2,1-2H3
InChIKeyDIAATYYIPIFCRH-UHFFFAOYSA-N
XLogP4.43
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 54.43
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'}

Analyze 2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 100508533
N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100507191
N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide
CID 100534438
2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 50895797
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100506692
2-(2-methyl-N-(2-methyl-5-nitrophenyl)sulfonyl-3-nitroanilino)acetic acid
CID 100540021
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide
CID 124551127
2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 100509278
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide (CID 100508845) is 2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide is CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide?
The InChIKey is DIAATYYIPIFCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4S/c1-3-18(13-5-4-6-14(10(13)2)19(20)21)24(22,23)15-9-11(16)7-8-12(15)17/h4-9H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide?
2,5-dichloro-N-ethyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide has a molecular weight of 389.26 g/mol, XLogP of 4.43, 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-(2-methyl-3-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 100508845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).