[5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine

C11H10BrNO2S2 — CID 130345148

IUPAC[5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)c2ccccc2Br)s1
InChIInChI=1S/C11H10BrNO2S2/c12-9-3-1-2-4-10(9)17(14,15)11-6-5-8(7-13)16-11/h1-6H,7,13H2
InChIKeyWKWHYWXFLOIUNL-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.80
Rot. Bonds3

About [5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine

[5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine (PubChem CID 130345148) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is [5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine
PubChem CID130345148
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC Name[5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)c2ccccc2Br)s1
InChIInChI=1S/C11H10BrNO2S2/c12-9-3-1-2-4-10(9)17(14,15)11-6-5-8(7-13)16-11/h1-6H,7,13H2
InChIKeyWKWHYWXFLOIUNL-UHFFFAOYSA-N
XLogP2.80
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-thienylmethyl)benzenesulfonamide
CID 887265
4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 5305628
4-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518728
N-(2-bromobenzyl)-2-thiophenesulfonamide
CID 1246435
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 894103
US10807974, Example 86
CID 130344864
US10807974, Example 18
CID 130358016
1-[5-(Benzenesulfonyl)thiophen-2-yl]ethanamine
CID 155565133
5-bromo-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 3530151
5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 6470222
5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine (CID 130345148) is [5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine is NCc1ccc(S(=O)(=O)c2ccccc2Br)s1.
What is the InChIKey of [5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is WKWHYWXFLOIUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c12-9-3-1-2-4-10(9)17(14,15)11-6-5-8(7-13)16-11/h1-6H,7,13H2.
What are the key properties of [5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine?
[5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 332.24 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromophenyl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 130345148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).