N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide

C10H16BrNO3S2 — CID 106304861

IUPACN-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCOCCBr)s1
InChIInChI=1S/C10H16BrNO3S2/c1-9-3-4-10(16-9)17(13,14)12-6-2-7-15-8-5-11/h3-4,12H,2,5-8H2,1H3
InChIKeyBNPGRZVCTQUYQU-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.14
Rot. Bonds8

About N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide

N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide (PubChem CID 106304861) has the molecular formula C10H16BrNO3S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide
PubChem CID106304861
Molecular FormulaC10H16BrNO3S2
Molecular Weight342.28 g/mol
Exact Mass340.98
IUPAC NameN-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCOCCBr)s1
InChIInChI=1S/C10H16BrNO3S2/c1-9-3-4-10(16-9)17(13,14)12-6-2-7-15-8-5-11/h3-4,12H,2,5-8H2,1H3
InChIKeyBNPGRZVCTQUYQU-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide
CID 61132568
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30365965
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101290
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
CID 106304866
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
CID 82944213

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide (CID 106304861) is N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCCOCCBr)s1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is BNPGRZVCTQUYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3S2/c1-9-3-4-10(16-9)17(13,14)12-6-2-7-15-8-5-11/h3-4,12H,2,5-8H2,1H3.
What are the key properties of N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide?
N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 342.28 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106304861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).