N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide

C11H9BrCl2N2O2S2 — CID 116813707

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

About N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide

N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 116813707) has the molecular formula C11H9BrCl2N2O2S2 and a molecular weight of 416.15 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID116813707
Molecular FormulaC11H9BrCl2N2O2S2
Molecular Weight416.15 g/mol
Exact Mass413.87
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCc1cc(N)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c(Br)c1
InChIInChI=1S/C11H9BrCl2N2O2S2/c1-5-2-6(12)10(7(15)3-5)16-20(17,18)8-4-9(13)19-11(8)14/h2-4,16H,15H2,1H3
InChIKeyGKWQYWKFGINZQU-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-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 104814671
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 63258569
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 113349554
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 114051247
3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine
CID 114804993
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide (CID 116813707) is N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide is Cc1cc(N)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is GKWQYWKFGINZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O2S2/c1-5-2-6(12)10(7(15)3-5)16-20(17,18)8-4-9(13)19-11(8)14/h2-4,16H,15H2,1H3.
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(2-amino-6-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-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 116813707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).