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

C11H8BrCl2NO2S2 — CID 3773428

IUPACN-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H8BrCl2NO2S2/c1-6-2-3-7(12)4-8(6)15-19(16,17)9-5-10(13)18-11(9)14/h2-5,15H,1H3
InChIKeyBUNYCVUOPCVAGY-UHFFFAOYSA-N
MW401.13 g/mol
LogP4.93
Rot. Bonds3

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

N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 3773428) has the molecular formula C11H8BrCl2NO2S2 and a molecular weight of 401.13 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID3773428
Molecular FormulaC11H8BrCl2NO2S2
Molecular Weight401.13 g/mol
Exact Mass398.86
IUPAC NameN-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H8BrCl2NO2S2/c1-6-2-3-7(12)4-8(6)15-19(16,17)9-5-10(13)18-11(9)14/h2-5,15H,1H3
InChIKeyBUNYCVUOPCVAGY-UHFFFAOYSA-N
XLogP4.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.13
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-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

2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 63405367
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 104814671
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 113349554
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
N-(5-bromo-2-methylphenyl)-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3697865
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
3-amino-N-(5-bromo-2-methylphenyl)-5-chloro-2-methylbenzenesulfonamide
CID 114379014
2,5-dichloro-N-(2,4-dichlorophenyl)thiophene-3-sulfonamide
CID 18282859
N-(2-amino-6-bromo-4-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 116813707
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62146330
N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide (CID 3773428) is N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide is Cc1ccc(Br)cc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is BUNYCVUOPCVAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NO2S2/c1-6-2-3-7(12)4-8(6)15-19(16,17)9-5-10(13)18-11(9)14/h2-5,15H,1H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 401.13 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 3773428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).