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

C10H15Br2NO2S2 — CID 106158682

IUPAC5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
SMILESCC(CBr)CCCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H15Br2NO2S2/c1-8(7-11)3-2-6-13-17(14,15)10-5-4-9(12)16-10/h4-5,8,13H,2-3,6-7H2,1H3
InChIKeyGXNVVKGZIOWFOS-UHFFFAOYSA-N
MW405.18 g/mol
LogP3.60
Rot. Bonds7

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

5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide (PubChem CID 106158682) has the molecular formula C10H15Br2NO2S2 and a molecular weight of 405.18 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
PubChem CID106158682
Molecular FormulaC10H15Br2NO2S2
Molecular Weight405.18 g/mol
Exact Mass402.89
IUPAC Name5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
SMILESCC(CBr)CCCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H15Br2NO2S2/c1-8(7-11)3-2-6-13-17(14,15)10-5-4-9(12)16-10/h4-5,8,13H,2-3,6-7H2,1H3
InChIKeyGXNVVKGZIOWFOS-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 115638717
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide
CID 106158647
5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147
5-bromo-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]thiophene-2-sulfonamide
CID 51330982
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-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 107158212
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide (CID 106158682) is 5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide is CC(CBr)CCCNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide?
The InChIKey is GXNVVKGZIOWFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NO2S2/c1-8(7-11)3-2-6-13-17(14,15)10-5-4-9(12)16-10/h4-5,8,13H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide?
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide has a molecular weight of 405.18 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106158682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).