N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide

C18H23BrN2O2S2 — CID 5016701

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide
SMILESO=S(=O)(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Br)s1
InChIInChI=1S/C18H23BrN2O2S2/c19-17-6-7-18(24-17)25(22,23)20-11-8-15-9-12-21(13-10-15)14-16-4-2-1-3-5-16/h1-7,15,20H,8-14H2
InChIKeyMWUBMLLNXVUZJQ-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.09
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide (PubChem CID 5016701) has the molecular formula C18H23BrN2O2S2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide
PubChem CID5016701
Molecular FormulaC18H23BrN2O2S2
Molecular Weight443.43 g/mol
Exact Mass442.04
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide
SMILESO=S(=O)(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Br)s1
InChIInChI=1S/C18H23BrN2O2S2/c19-17-6-7-18(24-17)25(22,23)20-11-8-15-9-12-21(13-10-15)14-16-4-2-1-3-5-16/h1-7,15,20H,8-14H2
InChIKeyMWUBMLLNXVUZJQ-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 16887802
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 74228948
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 74227028
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
5-[2-(1-methylpiperidin-4-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 114515088
(1-benzylpiperidin-4-yl)methanesulfonic acid
CID 150183274
1-benzyl-4-(benzylsulfonylmethyl)piperidine
CID 18919882
(1R,2aR,8bR)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-8-bromo-4-oxo-2,2a,3,8b-tetrahydro-1H-cyclobuta[c]isoquinoline-1-sulfonamide
CID 168875570
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
5-bromo-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 3488993

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide (CID 5016701) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide is O=S(=O)(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Br)s1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide?
The InChIKey is MWUBMLLNXVUZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2S2/c19-17-6-7-18(24-17)25(22,23)20-11-8-15-9-12-21(13-10-15)14-16-4-2-1-3-5-16/h1-7,15,20H,8-14H2.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide has a molecular weight of 443.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 5016701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).