N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide

C16H20BrN3O4S — CID 55634596

IUPACN-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)C1CC1
InChIInChI=1S/C16H20BrN3O4S/c17-13-2-1-3-14(10-13)25(23,24)20-8-6-19(7-9-20)15(21)11-18-16(22)12-4-5-12/h1-3,10,12H,4-9,11H2,(H,18,22)
InChIKeyZKCBPNZTVLKRIY-UHFFFAOYSA-N
MW430.32 g/mol
LogP0.81
Rot. Bonds5

About N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 55634596) has the molecular formula C16H20BrN3O4S and a molecular weight of 430.32 g/mol. Its IUPAC name is N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID55634596
Molecular FormulaC16H20BrN3O4S
Molecular Weight430.32 g/mol
Exact Mass429.04
IUPAC NameN-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)C1CC1
InChIInChI=1S/C16H20BrN3O4S/c17-13-2-1-3-14(10-13)25(23,24)20-8-6-19(7-9-20)15(21)11-18-16(22)12-4-5-12/h1-3,10,12H,4-9,11H2,(H,18,22)
InChIKeyZKCBPNZTVLKRIY-UHFFFAOYSA-N
XLogP0.81
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31239856
4-(3-bromophenyl)sulfonyl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 27534495
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]ethanone
CID 26559319
N-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55702024
N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 26870754
N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide
CID 138020430
1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-ethylphenyl)propan-1-one
CID 24635421
1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 26559279
4-(3-bromophenyl)sulfonyl-N-[(R)-cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
CID 41256143
1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(2,4-difluorophenyl)sulfanylethanone
CID 26310098
N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 55648006
1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 26559302

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide (CID 55634596) is N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide is O=C(NCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)C1CC1.
What is the InChIKey of N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is ZKCBPNZTVLKRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O4S/c17-13-2-1-3-14(10-13)25(23,24)20-8-6-19(7-9-20)15(21)11-18-16(22)12-4-5-12/h1-3,10,12H,4-9,11H2,(H,18,22).
What are the key properties of N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 430.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 55634596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).