2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline

C12H12BrNO2S2 — CID 122156143

IUPAC2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline
SMILESCS(=O)(=O)c1cccc(Br)c1NCc1cccs1
InChIInChI=1S/C12H12BrNO2S2/c1-18(15,16)11-6-2-5-10(13)12(11)14-8-9-4-3-7-17-9/h2-7,14H,8H2,1H3
InChIKeyMSITZFOFBRSRJP-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.53
Rot. Bonds4

About 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline

2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 122156143) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID122156143
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC Name2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline
SMILESCS(=O)(=O)c1cccc(Br)c1NCc1cccs1
InChIInChI=1S/C12H12BrNO2S2/c1-18(15,16)11-6-2-5-10(13)12(11)14-8-9-4-3-7-17-9/h2-7,14H,8H2,1H3
InChIKeyMSITZFOFBRSRJP-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline 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

3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 39246443
N-methyl-2-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 43383430
4-bromo-N-(thiophen-2-ylmethyl)naphthalene-1-sulfonamide
CID 35582526
2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline
CID 107599377
3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 114378807
1-N-methyl-3-methylsulfonyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 82003034
3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-triazin-5-amine
CID 167635192
3-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 115125723
2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 79466591
2-(ethylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143225
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43182189

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline (CID 122156143) is 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline is CS(=O)(=O)c1cccc(Br)c1NCc1cccs1.
What is the InChIKey of 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is MSITZFOFBRSRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c1-18(15,16)11-6-2-5-10(13)12(11)14-8-9-4-3-7-17-9/h2-7,14H,8H2,1H3.
What are the key properties of 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline?
2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 346.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylsulfonyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 122156143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).