5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

C16H24BrN3O3S2 — CID 5083157

IUPAC5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H24BrN3O3S2/c17-14-6-7-16(24-14)25(22,23)18-12-15(21)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h6-7,13,18H,1-5,8-12H2
InChIKeyVYZOBZIDOCNJDK-UHFFFAOYSA-N
MW450.42 g/mol
LogP2.27
Rot. Bonds5

About 5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 5083157) has the molecular formula C16H24BrN3O3S2 and a molecular weight of 450.42 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID5083157
Molecular FormulaC16H24BrN3O3S2
Molecular Weight450.42 g/mol
Exact Mass449.04
IUPAC Name5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H24BrN3O3S2/c17-14-6-7-16(24-14)25(22,23)18-12-15(21)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h6-7,13,18H,1-5,8-12H2
InChIKeyVYZOBZIDOCNJDK-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-Bromothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 16319568
ethyl 4-({N-[(5-bromothien-2-yl)sulfonyl]glycyl}amino)piperidine-1-carboxylate
CID 3245804
5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 4342607
1-({1-[(5-Bromothien-2-yl)sulfonyl]piperidin-4-yl}carbonyl)-4-cyclohexylpiperazine
CID 4670839
1-[(5-bromothien-2-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 5243547
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 16312925
N-cyclohexyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 16318689
5-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 3237147
N-[2-(1,4'-bipiperidin-1'-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 3237741
N-(2-azepan-1-yl-2-oxoethyl)-5-bromo-N-methylthiophene-2-sulfonamide
CID 3238971
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-sulfonamide
CID 3239434
N~2~-[(5-bromothien-2-yl)sulfonyl]-N~1~-cyclohexyl-N~2~-methylglycinamide
CID 3245023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide (CID 5083157) is 5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is VYZOBZIDOCNJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O3S2/c17-14-6-7-16(24-14)25(22,23)18-12-15(21)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h6-7,13,18H,1-5,8-12H2.
What are the key properties of 5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 450.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5083157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).