5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide

C12H13BrN2O2S2 — CID 106061445

IUPAC5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2)sc1CN
InChIInChI=1S/C12H13BrN2O2S2/c1-8-6-12(18-11(8)7-14)19(16,17)15-10-4-2-9(13)3-5-10/h2-6,15H,7,14H2,1H3
InChIKeyQPGOTNUILZSFTL-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.08
Rot. Bonds4

About 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106061445) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
PubChem CID106061445
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2)sc1CN
InChIInChI=1S/C12H13BrN2O2S2/c1-8-6-12(18-11(8)7-14)19(16,17)15-10-4-2-9(13)3-5-10/h2-6,15H,7,14H2,1H3
InChIKeyQPGOTNUILZSFTL-UHFFFAOYSA-N
XLogP3.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-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

5-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106076647
5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 106059520
5-(aminomethyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088719
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106076817
5-(aminomethyl)-N-(6-methoxy-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106059973
5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311160
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106070845
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868
5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057731
5-bromo-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
5-(aminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 114138862
N-(2,5-dibromophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106007099

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide (CID 106061445) is 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is QPGOTNUILZSFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-8-6-12(18-11(8)7-14)19(16,17)15-10-4-2-9(13)3-5-10/h2-6,15H,7,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 361.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106061445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).