5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide

C12H13BrN2O3S2 — CID 106067006

IUPAC5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2csc(CN)c2)cc1Br
InChIInChI=1S/C12H13BrN2O3S2/c1-18-12-3-2-8(4-11(12)13)15-20(16,17)10-5-9(6-14)19-7-10/h2-5,7,15H,6,14H2,1H3
InChIKeyPYXSIUOUCGDNNJ-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.78
Rot. Bonds5

About 5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide (PubChem CID 106067006) has the molecular formula C12H13BrN2O3S2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
PubChem CID106067006
Molecular FormulaC12H13BrN2O3S2
Molecular Weight377.29 g/mol
Exact Mass375.96
IUPAC Name5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2csc(CN)c2)cc1Br
InChIInChI=1S/C12H13BrN2O3S2/c1-18-12-3-2-8(4-11(12)13)15-20(16,17)10-5-9(6-14)19-7-10/h2-5,7,15H,6,14H2,1H3
InChIKeyPYXSIUOUCGDNNJ-UHFFFAOYSA-N
XLogP2.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106030415
5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 106058867
5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide
CID 106057752
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106001955
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
CID 106061159
5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide
CID 106057499
N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070895
4-[(3,4-dimethoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 20900799
5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide
CID 106087259

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide (CID 106067006) is 5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide is COc1ccc(NS(=O)(=O)c2csc(CN)c2)cc1Br.
What is the InChIKey of 5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide?
The InChIKey is PYXSIUOUCGDNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S2/c1-18-12-3-2-8(4-11(12)13)15-20(16,17)10-5-9(6-14)19-7-10/h2-5,7,15H,6,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide has a molecular weight of 377.29 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106067006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).