2-(4-bromophenyl)sulfonyl-N-methylethanamine

C9H12BrNO2S — CID 60641137

IUPAC2-(4-bromophenyl)sulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO2S/c1-11-6-7-14(12,13)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKeyRCZFUPDUNWQOLD-UHFFFAOYSA-N
MW278.17 g/mol
LogP1.44
Rot. Bonds4

About 2-(4-bromophenyl)sulfonyl-N-methylethanamine

2-(4-bromophenyl)sulfonyl-N-methylethanamine (PubChem CID 60641137) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-methylethanamine
PubChem CID60641137
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC Name2-(4-bromophenyl)sulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO2S/c1-11-6-7-14(12,13)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKeyRCZFUPDUNWQOLD-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine
CID 64675325
2-(benzenesulfonyl)-N-methylethanamine;hydrochloride
CID 155973548
N-[2-(4-bromophenyl)sulfonylethyl]-4-methylpentan-1-amine
CID 102672211
N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine
CID 69274920
4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide
CID 119432381
N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine
CID 103603052
2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 64640024
2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine
CID 116853368
2-[2-(4-bromophenyl)sulfonylethylamino]-3-methylbutanoic acid
CID 43468745
4-[2-(4-bromoanilino)ethylsulfonyl]benzonitrile
CID 79497590
N-[2-(4-bromophenyl)sulfonylethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 42913850
5-[4-(4-bromophenyl)phenyl]sulfonyl-N-propan-2-ylpentan-1-amine
CID 123567383

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-methylethanamine (CID 60641137) is 2-(4-bromophenyl)sulfonyl-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-methylethanamine is CNCCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-methylethanamine?
The InChIKey is RCZFUPDUNWQOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-11-6-7-14(12,13)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-methylethanamine?
2-(4-bromophenyl)sulfonyl-N-methylethanamine has a molecular weight of 278.17 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-methylethanamine is sourced from PubChem (CID 60641137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).