5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide

C13H14BrClN2O2S2 — CID 79999030

IUPAC5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)sc1Br
InChIInChI=1S/C13H14BrClN2O2S2/c1-8-6-12(20-13(8)14)21(18,19)16-10-7-9(15)4-5-11(10)17(2)3/h4-7,16H,1-3H3
InChIKeyAWCAWLCXCDFNGL-UHFFFAOYSA-N
MW409.76 g/mol
LogP4.34
Rot. Bonds4

About 5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide (PubChem CID 79999030) has the molecular formula C13H14BrClN2O2S2 and a molecular weight of 409.76 g/mol. Its IUPAC name is 5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide
PubChem CID79999030
Molecular FormulaC13H14BrClN2O2S2
Molecular Weight409.76 g/mol
Exact Mass407.94
IUPAC Name5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)sc1Br
InChIInChI=1S/C13H14BrClN2O2S2/c1-8-6-12(20-13(8)14)21(18,19)16-10-7-9(15)4-5-11(10)17(2)3/h4-7,16H,1-3H3
InChIKeyAWCAWLCXCDFNGL-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3,5-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 79995879
N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274812
5-[(2-bromo-5-chlorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 81269683
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933429
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988514
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998350
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901
5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998829

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide (CID 79999030) is 5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)sc1Br.
What is the InChIKey of 5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is AWCAWLCXCDFNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2S2/c1-8-6-12(20-13(8)14)21(18,19)16-10-7-9(15)4-5-11(10)17(2)3/h4-7,16H,1-3H3.
What are the key properties of 5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 409.76 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79999030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).