N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide

C10H7Cl3N2O2S2 — CID 43604417

IUPACN-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1Cl
InChIInChI=1S/C10H7Cl3N2O2S2/c11-6-3-5(1-2-7(6)14)15-19(16,17)8-4-9(12)18-10(8)13/h1-4,15H,14H2
InChIKeyBKPPBJFWDOGKOK-UHFFFAOYSA-N
MW357.67 g/mol
LogP4.09
Rot. Bonds3

About N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide

N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 43604417) has the molecular formula C10H7Cl3N2O2S2 and a molecular weight of 357.67 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID43604417
Molecular FormulaC10H7Cl3N2O2S2
Molecular Weight357.67 g/mol
Exact Mass355.90
IUPAC NameN-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1Cl
InChIInChI=1S/C10H7Cl3N2O2S2/c11-6-3-5(1-2-7(6)14)15-19(16,17)8-4-9(12)18-10(8)13/h1-4,15H,14H2
InChIKeyBKPPBJFWDOGKOK-UHFFFAOYSA-N
XLogP4.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.67
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
CID 3600344
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide
CID 43344174
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
CID 65030855
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 63258569
2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
CID 18289175
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
2,5-dichloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]thiophene-3-sulfonamide
CID 55662919
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide (CID 43604417) is N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide is Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1Cl.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is BKPPBJFWDOGKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2O2S2/c11-6-3-5(1-2-7(6)14)15-19(16,17)8-4-9(12)18-10(8)13/h1-4,15H,14H2.
What are the key properties of N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 357.67 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 43604417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).