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

C11H9BrCl2N2O2S2 — CID 104814671

IUPACN-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1N
InChIInChI=1S/C11H9BrCl2N2O2S2/c1-5-2-6(12)8(3-7(5)15)16-20(17,18)9-4-10(13)19-11(9)14/h2-4,16H,15H2,1H3
InChIKeyMOYTULPVJZQZJM-UHFFFAOYSA-N
MW416.15 g/mol
LogP4.51
Rot. Bonds3

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

N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 104814671) has the molecular formula C11H9BrCl2N2O2S2 and a molecular weight of 416.15 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID104814671
Molecular FormulaC11H9BrCl2N2O2S2
Molecular Weight416.15 g/mol
Exact Mass413.87
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1N
InChIInChI=1S/C11H9BrCl2N2O2S2/c1-5-2-6(12)8(3-7(5)15)16-20(17,18)9-4-10(13)19-11(9)14/h2-4,16H,15H2,1H3
InChIKeyMOYTULPVJZQZJM-UHFFFAOYSA-N
XLogP4.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.15
LogP ≤ 54.51
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-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 116813707
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
N-(5-amino-2-bromo-4-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 104814670
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 113349554
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 63258569
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide (CID 104814671) is N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is MOYTULPVJZQZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O2S2/c1-5-2-6(12)8(3-7(5)15)16-20(17,18)9-4-10(13)19-11(9)14/h2-4,16H,15H2,1H3.
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 416.15 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 104814671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).