5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide

C11H14BrN3O2S2 — CID 112697586

IUPAC5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCn2cccn2)sc1Br
InChIInChI=1S/C11H14BrN3O2S2/c1-9-8-10(18-11(9)12)19(16,17)14-5-3-7-15-6-2-4-13-15/h2,4,6,8,14H,3,5,7H2,1H3
InChIKeyHCSQHKWWIMSBIE-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.38
Rot. Bonds6

About 5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 112697586) has the molecular formula C11H14BrN3O2S2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID112697586
Molecular FormulaC11H14BrN3O2S2
Molecular Weight364.29 g/mol
Exact Mass362.97
IUPAC Name5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCn2cccn2)sc1Br
InChIInChI=1S/C11H14BrN3O2S2/c1-9-8-10(18-11(9)12)19(16,17)14-5-3-7-15-6-2-4-13-15/h2,4,6,8,14H,3,5,7H2,1H3
InChIKeyHCSQHKWWIMSBIE-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-4-methyl-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 106054619
5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
CID 82944213
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
2-bromo-5-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)thiophene-3-sulfonamide
CID 106054649
5-bromo-N-(3-cyclopentylpropyl)-4-methylthiophene-2-sulfonamide
CID 114137199
1-[2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]ethyl]triazole-4-carboxylic acid
CID 79997904
N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 80505327
5-bromo-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-sulfonamide
CID 79945818
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 79939263
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
1-[2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107497791

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide (CID 112697586) is 5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCCn2cccn2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is HCSQHKWWIMSBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2S2/c1-9-8-10(18-11(9)12)19(16,17)14-5-3-7-15-6-2-4-13-15/h2,4,6,8,14H,3,5,7H2,1H3.
What are the key properties of 5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 364.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 112697586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).