N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide

C9H14BrNO2S2 — CID 61454391

IUPACN-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCBr)s1
InChIInChI=1S/C9H14BrNO2S2/c1-2-8-4-5-9(14-8)15(12,13)11-7-3-6-10/h4-5,11H,2-3,6-7H2,1H3
InChIKeyKPMAQTBCZCMFTE-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.37
Rot. Bonds6

About N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide

N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 61454391) has the molecular formula C9H14BrNO2S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
PubChem CID61454391
Molecular FormulaC9H14BrNO2S2
Molecular Weight312.25 g/mol
Exact Mass310.96
IUPAC NameN-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCBr)s1
InChIInChI=1S/C9H14BrNO2S2/c1-2-8-4-5-9(14-8)15(12,13)11-7-3-6-10/h4-5,11H,2-3,6-7H2,1H3
InChIKeyKPMAQTBCZCMFTE-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.37
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-ethyl-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756970
5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110423618
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
N-cyclopropyl-N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113052210
5-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616513
5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389169

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide (CID 61454391) is N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCCBr)s1.
What is the InChIKey of N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is KPMAQTBCZCMFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S2/c1-2-8-4-5-9(14-8)15(12,13)11-7-3-6-10/h4-5,11H,2-3,6-7H2,1H3.
What are the key properties of N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide?
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 312.25 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 61454391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).