5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide

C6H6Cl2N2O4S2 — CID 80742265

IUPAC5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCCCl)sc1Cl
InChIInChI=1S/C6H6Cl2N2O4S2/c7-1-2-9-16(13,14)5-3-4(10(11)12)6(8)15-5/h3,9H,1-2H2
InChIKeyNWFWDILUTDIUGZ-UHFFFAOYSA-N
MW305.16 g/mol
LogP1.83
Rot. Bonds5

About 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide

5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80742265) has the molecular formula C6H6Cl2N2O4S2 and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
PubChem CID80742265
Molecular FormulaC6H6Cl2N2O4S2
Molecular Weight305.16 g/mol
Exact Mass303.91
IUPAC Name5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCCCl)sc1Cl
InChIInChI=1S/C6H6Cl2N2O4S2/c7-1-2-9-16(13,14)5-3-4(10(11)12)6(8)15-5/h3,9H,1-2H2
InChIKeyNWFWDILUTDIUGZ-UHFFFAOYSA-N
XLogP1.83
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide 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

5-chloro-N-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
5-chloro-N-[2-(ethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80742406
5-chloro-N-[2-(methylsulfamoyl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 106336240
5-chloro-N-(3-methylsulfonylpropyl)-4-nitrothiophene-2-sulfonamide
CID 80742040
5-chloro-N-(4-methoxybutyl)-4-nitrothiophene-2-sulfonamide
CID 80741978
5-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]pentanamide
CID 106235500
4-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835282
2-[2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]ethoxy]acetic acid
CID 80742029
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80741851
ethyl 3-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]propanoate
CID 80741913
5-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-4-nitrothiophene-2-sulfonamide
CID 106143626

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide (CID 80742265) is 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)NCCCl)sc1Cl.
What is the InChIKey of 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is NWFWDILUTDIUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O4S2/c7-1-2-9-16(13,14)5-3-4(10(11)12)6(8)15-5/h3,9H,1-2H2.
What are the key properties of 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 305.16 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80742265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).