N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide

C8H10BrCl2NO2S2 — CID 114297747

IUPACN-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCC(Br)CCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H10BrCl2NO2S2/c1-5(9)2-3-12-16(13,14)6-4-7(10)15-8(6)11/h4-5,12H,2-3H2,1H3
InChIKeyHDSDXVOVUSMAJN-UHFFFAOYSA-N
MW367.12 g/mol
LogP3.51
Rot. Bonds5

About N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide

N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 114297747) has the molecular formula C8H10BrCl2NO2S2 and a molecular weight of 367.12 g/mol. Its IUPAC name is N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID114297747
Molecular FormulaC8H10BrCl2NO2S2
Molecular Weight367.12 g/mol
Exact Mass364.87
IUPAC NameN-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESCC(Br)CCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H10BrCl2NO2S2/c1-5(9)2-3-12-16(13,14)6-4-7(10)15-8(6)11/h4-5,12H,2-3H2,1H3
InChIKeyHDSDXVOVUSMAJN-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.12
LogP ≤ 53.51
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

2,5-dichloro-N-(3-chloro-4-methoxybutyl)thiophene-3-sulfonamide
CID 114163439
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
CID 65036898
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
CID 61132382
N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43606292
2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 55365000
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide (CID 114297747) is N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide is CC(Br)CCNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is HDSDXVOVUSMAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrCl2NO2S2/c1-5(9)2-3-12-16(13,14)6-4-7(10)15-8(6)11/h4-5,12H,2-3H2,1H3.
What are the key properties of N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 367.12 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 114297747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).