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

C13H15BrN2O2S2 — CID 106057534

IUPACN-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H15BrN2O2S2/c1-9-7-10(14)3-4-11(9)16-20(17,18)13-5-6-19-12(13)8-15-2/h3-7,15-16H,8H2,1-2H3
InChIKeyYIAQZUTXANLPBS-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.34
Rot. Bonds5

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

N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106057534) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106057534
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C13H15BrN2O2S2/c1-9-7-10(14)3-4-11(9)16-20(17,18)13-5-6-19-12(13)8-15-2/h3-7,15-16H,8H2,1-2H3
InChIKeyYIAQZUTXANLPBS-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 107425265
N-(4-methoxy-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056030
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106078949
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106007249
N-(5-chloro-2-fluorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030361
N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107429534
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070384
N-(2,4-dibromophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106003290
N-(2,5-dibromophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106007060
N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085927
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylaniline
CID 63488263

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106057534) is N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is YIAQZUTXANLPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-9-7-10(14)3-4-11(9)16-20(17,18)13-5-6-19-12(13)8-15-2/h3-7,15-16H,8H2,1-2H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 375.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106057534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).