3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide

C12H17Br2NO2S2 — CID 80669651

IUPAC3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide
SMILESO=S(=O)(c1sccc1Br)N(CCBr)C1CCCCC1
InChIInChI=1S/C12H17Br2NO2S2/c13-7-8-15(10-4-2-1-3-5-10)19(16,17)12-11(14)6-9-18-12/h6,9-10H,1-5,7-8H2
InChIKeyFMTMGIOKUGWGFE-UHFFFAOYSA-N
MW431.22 g/mol
LogP4.23
Rot. Bonds5

About 3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide

3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide (PubChem CID 80669651) has the molecular formula C12H17Br2NO2S2 and a molecular weight of 431.22 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide
PubChem CID80669651
Molecular FormulaC12H17Br2NO2S2
Molecular Weight431.22 g/mol
Exact Mass428.91
IUPAC Name3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide
SMILESO=S(=O)(c1sccc1Br)N(CCBr)C1CCCCC1
InChIInChI=1S/C12H17Br2NO2S2/c13-7-8-15(10-4-2-1-3-5-10)19(16,17)12-11(14)6-9-18-12/h6,9-10H,1-5,7-8H2
InChIKeyFMTMGIOKUGWGFE-UHFFFAOYSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.22
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 61073287
3-bromo-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 61456255
3-bromo-N-cyclopropyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 61456293
3-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 61072223
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-propylthiophene-2-sulfonamide
CID 61456072
3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
CID 107400610
3-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 61072956
N-(2-bromoethyl)-N-cyclohexyl-2,5-difluorobenzenesulfonamide
CID 80669895
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 80670503
3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide (CID 80669651) is 3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide is O=S(=O)(c1sccc1Br)N(CCBr)C1CCCCC1.
What is the InChIKey of 3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide?
The InChIKey is FMTMGIOKUGWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO2S2/c13-7-8-15(10-4-2-1-3-5-10)19(16,17)12-11(14)6-9-18-12/h6,9-10H,1-5,7-8H2.
What are the key properties of 3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide?
3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide has a molecular weight of 431.22 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide is sourced from PubChem (CID 80669651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).