5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide

C12H11Cl3N2O2S2 — CID 106002671

IUPAC5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)s1
InChIInChI=1S/C12H11Cl3N2O2S2/c1-16-6-8-2-3-11(20-8)21(18,19)17-12-9(14)4-7(13)5-10(12)15/h2-5,16-17H,6H2,1H3
InChIKeySNTPDZAFBACXKZ-UHFFFAOYSA-N
MW385.73 g/mol
LogP4.23
Rot. Bonds5

About 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide

5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide (PubChem CID 106002671) has the molecular formula C12H11Cl3N2O2S2 and a molecular weight of 385.73 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide
PubChem CID106002671
Molecular FormulaC12H11Cl3N2O2S2
Molecular Weight385.73 g/mol
Exact Mass383.93
IUPAC Name5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)s1
InChIInChI=1S/C12H11Cl3N2O2S2/c1-16-6-8-2-3-11(20-8)21(18,19)17-12-9(14)4-7(13)5-10(12)15/h2-5,16-17H,6H2,1H3
InChIKeySNTPDZAFBACXKZ-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.73
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194
N-(4-chloro-2-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087386
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066943
N-(3-iodophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106029311
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106073390
N-(2,6-dimethyl-3-pyridinyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071129
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076709
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106029020
2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090264

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide (CID 106002671) is 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)s1.
What is the InChIKey of 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide?
The InChIKey is SNTPDZAFBACXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2O2S2/c1-16-6-8-2-3-11(20-8)21(18,19)17-12-9(14)4-7(13)5-10(12)15/h2-5,16-17H,6H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide?
5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide has a molecular weight of 385.73 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(2,4,6-trichlorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106002671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).