N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

C13H15BrN2O3S2 — CID 106067208

IUPACN-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2cc(OC)ccc2Br)c1
InChIInChI=1S/C13H15BrN2O3S2/c1-15-7-9-5-13(20-8-9)21(17,18)16-12-6-10(19-2)3-4-11(12)14/h3-6,8,15-16H,7H2,1-2H3
InChIKeyVAOAFSJZRGNIPT-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.04
Rot. Bonds6

About N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106067208) has the molecular formula C13H15BrN2O3S2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106067208
Molecular FormulaC13H15BrN2O3S2
Molecular Weight391.31 g/mol
Exact Mass389.97
IUPAC NameN-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2cc(OC)ccc2Br)c1
InChIInChI=1S/C13H15BrN2O3S2/c1-15-7-9-5-13(20-8-9)21(17,18)16-12-6-10(19-2)3-4-11(12)14/h3-6,8,15-16H,7H2,1-2H3
InChIKeyVAOAFSJZRGNIPT-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071824
N-(3-bromo-4-pyridinyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076061
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056729
N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087225
N-[2-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003238
N-(3-bromo-4-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106070953
N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106072964
N-(3-fluoro-4-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106030451
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106002803
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246
N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106012448

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106067208) is N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)Nc2cc(OC)ccc2Br)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is VAOAFSJZRGNIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S2/c1-15-7-9-5-13(20-8-9)21(17,18)16-12-6-10(19-2)3-4-11(12)14/h3-6,8,15-16H,7H2,1-2H3.
What are the key properties of N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 391.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106067208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).