N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide

C13H18BrNO2S2 — CID 129430939

IUPACN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)s1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C13H18BrNO2S2/c1-8(11-7-9-2-3-10(11)6-9)15-19(16,17)13-5-4-12(14)18-13/h4-5,8-11,15H,2-3,6-7H2,1H3/t8-,9-,10-,11-/m0/s1
InChIKeyFRTZEWFTTNSPNA-NAKRPEOUSA-N
MW364.33 g/mol
LogP3.61
Rot. Bonds4

About N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide (PubChem CID 129430939) has the molecular formula C13H18BrNO2S2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide
PubChem CID129430939
Molecular FormulaC13H18BrNO2S2
Molecular Weight364.33 g/mol
Exact Mass363.00
IUPAC NameN-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)s1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C13H18BrNO2S2/c1-8(11-7-9-2-3-10(11)6-9)15-19(16,17)13-5-4-12(14)18-13/h4-5,8-11,15H,2-3,6-7H2,1H3/t8-,9-,10-,11-/m0/s1
InChIKeyFRTZEWFTTNSPNA-NAKRPEOUSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide with MolForge

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Related Compounds

5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
N-[[5-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 98706346
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
1-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 22108863
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 43178335
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide
CID 43080895
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxybenzenesulfonamide
CID 4833444
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methoxybenzenesulfonamide
CID 98607130
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 98392671

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide (CID 129430939) is N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(Br)s1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide?
The InChIKey is FRTZEWFTTNSPNA-NAKRPEOUSA-N. The full InChI is InChI=1S/C13H18BrNO2S2/c1-8(11-7-9-2-3-10(11)6-9)15-19(16,17)13-5-4-12(14)18-13/h4-5,8-11,15H,2-3,6-7H2,1H3/t8-,9-,10-,11-/m0/s1.
What are the key properties of N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide?
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide has a molecular weight of 364.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 129430939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).