5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C8H8BrN3O2S3 — CID 60785281

IUPAC5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ncc(Br)s2)s1
InChIInChI=1S/C8H8BrN3O2S3/c9-6-4-11-8(16-6)12-17(13,14)7-2-1-5(3-10)15-7/h1-2,4H,3,10H2,(H,11,12)
InChIKeyOBBYSWXTWDFRLE-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.23
Rot. Bonds4

About 5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 60785281) has the molecular formula C8H8BrN3O2S3 and a molecular weight of 354.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID60785281
Molecular FormulaC8H8BrN3O2S3
Molecular Weight354.28 g/mol
Exact Mass352.90
IUPAC Name5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ncc(Br)s2)s1
InChIInChI=1S/C8H8BrN3O2S3/c9-6-4-11-8(16-6)12-17(13,14)7-2-1-5(3-10)15-7/h1-2,4H,3,10H2,(H,11,12)
InChIKeyOBBYSWXTWDFRLE-UHFFFAOYSA-N
XLogP2.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 61477600
5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 43155736
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
N-(5-bromo-1,3-thiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60783708
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
5-amino-N-(5-bromo-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 62146498
N-(5-bromo-1,3-thiazol-2-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004029
6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
CID 60785111
N-(5-bromo-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823723
N-(5-bromo-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60784344
N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 60785604

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 60785281) is 5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)Nc2ncc(Br)s2)s1.
What is the InChIKey of 5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is OBBYSWXTWDFRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2S3/c9-6-4-11-8(16-6)12-17(13,14)7-2-1-5(3-10)15-7/h1-2,4H,3,10H2,(H,11,12).
What are the key properties of 5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 354.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 60785281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).