5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide

C8H10Br2ClNO2S2 — CID 106846697

IUPAC5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCCCCBr)c1cc(Cl)c(Br)s1
InChIInChI=1S/C8H10Br2ClNO2S2/c9-3-1-2-4-12-16(13,14)7-5-6(11)8(10)15-7/h5,12H,1-4H2
InChIKeyQLCVUKZAVWHZRG-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.62
Rot. Bonds6

About 5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide

5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide (PubChem CID 106846697) has the molecular formula C8H10Br2ClNO2S2 and a molecular weight of 411.57 g/mol. Its IUPAC name is 5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
PubChem CID106846697
Molecular FormulaC8H10Br2ClNO2S2
Molecular Weight411.57 g/mol
Exact Mass408.82
IUPAC Name5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCCCCBr)c1cc(Cl)c(Br)s1
InChIInChI=1S/C8H10Br2ClNO2S2/c9-3-1-2-4-12-16(13,14)7-5-6(11)8(10)15-7/h5,12H,1-4H2
InChIKeyQLCVUKZAVWHZRG-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.62
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

N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
5-bromo-4-chloro-N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 80578862
5-bromo-4-chloro-N-pent-3-ynylthiophene-2-sulfonamide
CID 116645089
N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115685407
(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934085
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
5-bromo-4-chloro-N-[2-(3-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80579950
3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide
CID 107323027
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 81090482
5-bromo-4-chloro-N-[2-methyl-3-(methylamino)propyl]thiophene-2-sulfonamide
CID 115302757
5-bromo-4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)thiophene-2-sulfonamide
CID 103896649
5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide
CID 80578090

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide (CID 106846697) is 5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide is O=S(=O)(NCCCCBr)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide?
The InChIKey is QLCVUKZAVWHZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2ClNO2S2/c9-3-1-2-4-12-16(13,14)7-5-6(11)8(10)15-7/h5,12H,1-4H2.
What are the key properties of 5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide?
5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide has a molecular weight of 411.57 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromobutyl)-4-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 106846697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).