2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide

C12H10Cl3NO2S2 — CID 65030855

IUPAC2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCCl)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10Cl3NO2S2/c13-6-5-8-1-3-9(4-2-8)16-20(17,18)10-7-11(14)19-12(10)15/h1-4,7,16H,5-6H2
InChIKeyMAPLLHFJHXMJHJ-UHFFFAOYSA-N
MW370.71 g/mol
LogP4.64
Rot. Bonds5

About 2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide

2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide (PubChem CID 65030855) has the molecular formula C12H10Cl3NO2S2 and a molecular weight of 370.71 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
PubChem CID65030855
Molecular FormulaC12H10Cl3NO2S2
Molecular Weight370.71 g/mol
Exact Mass368.92
IUPAC Name2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCCl)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10Cl3NO2S2/c13-6-5-8-1-3-9(4-2-8)16-20(17,18)10-7-11(14)19-12(10)15/h1-4,7,16H,5-6H2
InChIKeyMAPLLHFJHXMJHJ-UHFFFAOYSA-N
XLogP4.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
CID 65031108
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide
CID 43344174
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
CID 107234016
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
CID 3600344
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
CID 39792284
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578
2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide
CID 55365500
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide (CID 65030855) is 2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(CCCl)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide?
The InChIKey is MAPLLHFJHXMJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NO2S2/c13-6-5-8-1-3-9(4-2-8)16-20(17,18)10-7-11(14)19-12(10)15/h1-4,7,16H,5-6H2.
What are the key properties of 2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide has a molecular weight of 370.71 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 65030855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).