5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide

C13H13BrClNO2S2 — CID 80578485

IUPAC5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H13BrClNO2S2/c1-8-5-3-4-6-10(8)9(2)16-20(17,18)12-7-11(15)13(14)19-12/h3-7,9,16H,1-2H3
InChIKeyIVSLGFSDINJITF-UHFFFAOYSA-N
MW394.74 g/mol
LogP4.51
Rot. Bonds4

About 5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 80578485) has the molecular formula C13H13BrClNO2S2 and a molecular weight of 394.74 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID80578485
Molecular FormulaC13H13BrClNO2S2
Molecular Weight394.74 g/mol
Exact Mass392.93
IUPAC Name5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H13BrClNO2S2/c1-8-5-3-4-6-10(8)9(2)16-20(17,18)12-7-11(15)13(14)19-12/h3-7,9,16H,1-2H3
InChIKeyIVSLGFSDINJITF-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.74
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
CID 114010398
5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79918576
5-bromo-4-chloro-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 80580119
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79998802
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 106267712
5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide
CID 80577530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide (CID 80578485) is 5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide is Cc1ccccc1C(C)NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is IVSLGFSDINJITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2S2/c1-8-5-3-4-6-10(8)9(2)16-20(17,18)12-7-11(15)13(14)19-12/h3-7,9,16H,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 394.74 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 80578485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).