N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide

C12H13BrN2O2S2 — CID 43458476

IUPACN-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccccc1N)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H13BrN2O2S2/c1-15(8-9-4-2-3-5-10(9)14)19(16,17)12-7-6-11(13)18-12/h2-7H,8,14H2,1H3
InChIKeyRAYZRSDIJLOKQU-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide

N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide (PubChem CID 43458476) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide
PubChem CID43458476
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC NameN-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccccc1N)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H13BrN2O2S2/c1-15(8-9-4-2-3-5-10(9)14)19(16,17)12-7-6-11(13)18-12/h2-7H,8,14H2,1H3
InChIKeyRAYZRSDIJLOKQU-UHFFFAOYSA-N
XLogP2.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61059090
N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
CID 43458478
N-[(2-aminophenyl)methyl]-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099506
2-[[(5-bromothiophen-2-yl)methyl-propan-2-ylamino]methyl]aniline
CID 43460471
5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771399
N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
CID 80576976
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide
CID 43458468
5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 79994649
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638
N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide
CID 86794996
4-[(5-bromothiophen-2-yl)sulfonyl-methylamino]butanoic acid
CID 43090805

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide (CID 43458476) is N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide is CN(Cc1ccccc1N)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide?
The InChIKey is RAYZRSDIJLOKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-15(8-9-4-2-3-5-10(9)14)19(16,17)12-7-6-11(13)18-12/h2-7H,8,14H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide?
N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide has a molecular weight of 361.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 43458476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).