5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide

C10H15Br2NO2S2 — CID 107158212

IUPAC5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
SMILESCC(C)CC(Br)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H15Br2NO2S2/c1-7(2)5-8(11)6-13-17(14,15)10-4-3-9(12)16-10/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyURQRXQZQNWIPSS-UHFFFAOYSA-N
MW405.18 g/mol
LogP3.60
Rot. Bonds6

About 5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide

5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide (PubChem CID 107158212) has the molecular formula C10H15Br2NO2S2 and a molecular weight of 405.18 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
PubChem CID107158212
Molecular FormulaC10H15Br2NO2S2
Molecular Weight405.18 g/mol
Exact Mass402.89
IUPAC Name5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
SMILESCC(C)CC(Br)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H15Br2NO2S2/c1-7(2)5-8(11)6-13-17(14,15)10-4-3-9(12)16-10/h3-4,7-8,13H,5-6H2,1-2H3
InChIKeyURQRXQZQNWIPSS-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3298389
5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
CID 10292550
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 65222656
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromothiophene-2-sulfonohydrazide
CID 23464136
5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 97417531

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide (CID 107158212) is 5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide is CC(C)CC(Br)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide?
The InChIKey is URQRXQZQNWIPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NO2S2/c1-7(2)5-8(11)6-13-17(14,15)10-4-3-9(12)16-10/h3-4,7-8,13H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide?
5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide has a molecular weight of 405.18 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107158212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).