N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

C12H12BrClN2O2S2 — CID 106087225

IUPACN-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C12H12BrClN2O2S2/c1-15-6-8-5-11(19-7-8)20(17,18)16-10-4-2-3-9(14)12(10)13/h2-5,7,15-16H,6H2,1H3
InChIKeyGCVVIINILQHUNV-UHFFFAOYSA-N
MW395.73 g/mol
LogP3.68
Rot. Bonds5

About N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106087225) has the molecular formula C12H12BrClN2O2S2 and a molecular weight of 395.73 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106087225
Molecular FormulaC12H12BrClN2O2S2
Molecular Weight395.73 g/mol
Exact Mass393.92
IUPAC NameN-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C12H12BrClN2O2S2/c1-15-6-8-5-11(19-7-8)20(17,18)16-10-4-2-3-9(14)12(10)13/h2-5,7,15-16H,6H2,1H3
InChIKeyGCVVIINILQHUNV-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056729
N-(3-bromo-4-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106070953
N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106060545
N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076061
N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003238
N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106067208
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106072964
N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106002803
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246
N-(2-fluoro-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071824

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106087225) is N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)Nc2cccc(Cl)c2Br)c1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is GCVVIINILQHUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2S2/c1-15-6-8-5-11(19-7-8)20(17,18)16-10-4-2-3-9(14)12(10)13/h2-5,7,15-16H,6H2,1H3.
What are the key properties of N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 395.73 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106087225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).