N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

C14H17BrN2O2S2 — CID 106072964

IUPACN-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2c(C)cc(C)cc2Br)c1
InChIInChI=1S/C14H17BrN2O2S2/c1-9-4-10(2)14(12(15)5-9)17-21(18,19)13-6-11(7-16-3)8-20-13/h4-6,8,16-17H,7H2,1-3H3
InChIKeyMCVTXFJFKZBDJI-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.65
Rot. Bonds5

About N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide

N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106072964) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106072964
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC NameN-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)Nc2c(C)cc(C)cc2Br)c1
InChIInChI=1S/C14H17BrN2O2S2/c1-9-4-10(2)14(12(15)5-9)17-21(18,19)13-6-11(7-16-3)8-20-13/h4-6,8,16-17H,7H2,1-3H3
InChIKeyMCVTXFJFKZBDJI-UHFFFAOYSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106070953
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-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106067208
N-(4-fluorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106061799
N-(2-bromo-3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087225
N-(2-bromo-4,6-dimethylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106072928
N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106060545
N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106060359
4-(ethylaminomethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 106070490
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106002803

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106072964) is N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)Nc2c(C)cc(C)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is MCVTXFJFKZBDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-9-4-10(2)14(12(15)5-9)17-21(18,19)13-6-11(7-16-3)8-20-13/h4-6,8,16-17H,7H2,1-3H3.
What are the key properties of N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-dimethylphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106072964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).