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

C13H15BrN2O3S2 — CID 106067026

IUPACN-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1ccc(OC)c(Br)c1
InChIInChI=1S/C13H15BrN2O3S2/c1-15-8-12-13(5-6-20-12)21(17,18)16-9-3-4-11(19-2)10(14)7-9/h3-7,15-16H,8H2,1-2H3
InChIKeySSXGEDCEFLGUOJ-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.04
Rot. Bonds6

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

N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106067026) has the molecular formula C13H15BrN2O3S2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106067026
Molecular FormulaC13H15BrN2O3S2
Molecular Weight391.31 g/mol
Exact Mass389.97
IUPAC NameN-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1ccc(OC)c(Br)c1
InChIInChI=1S/C13H15BrN2O3S2/c1-15-8-12-13(5-6-20-12)21(17,18)16-9-3-4-11(19-2)10(14)7-9/h3-7,15-16H,8H2,1-2H3
InChIKeySSXGEDCEFLGUOJ-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-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107429534
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088650
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26875602
N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106057534
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106078949
N-(4-methoxy-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056030
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070384
N-(5-chloro-2-fluorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030361
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106067026) is N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)Nc1ccc(OC)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is SSXGEDCEFLGUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S2/c1-15-8-12-13(5-6-20-12)21(17,18)16-9-3-4-11(19-2)10(14)7-9/h3-7,15-16H,8H2,1-2H3.
What are the key properties of N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-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-(3-bromo-4-methoxyphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106067026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).