N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide

C17H20BrN3O4S — CID 29195593

IUPACN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide
SMILESO=C(NCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C17H20BrN3O4S/c18-16-7-6-15(25-16)17(22)19-8-9-20-10-12-21(13-11-20)26(23,24)14-4-2-1-3-5-14/h1-7H,8-13H2,(H,19,22)
InChIKeyKGGMVXGRGJAKRA-UHFFFAOYSA-N
MW442.34 g/mol
LogP1.78
Rot. Bonds6

About N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide (PubChem CID 29195593) has the molecular formula C17H20BrN3O4S and a molecular weight of 442.34 g/mol. Its IUPAC name is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide
PubChem CID29195593
Molecular FormulaC17H20BrN3O4S
Molecular Weight442.34 g/mol
Exact Mass441.04
IUPAC NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide
SMILESO=C(NCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Br)o1
InChIInChI=1S/C17H20BrN3O4S/c18-16-7-6-15(25-16)17(22)19-8-9-20-10-12-21(13-11-20)26(23,24)14-4-2-1-3-5-14/h1-7H,8-13H2,(H,19,22)
InChIKeyKGGMVXGRGJAKRA-UHFFFAOYSA-N
XLogP1.78
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 16881315
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 29195358
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 29195699
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 29195438
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 29196259
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide
CID 29195584
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
N-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxamide
CID 46457547
5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
CID 110742704
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 29195600
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide (CID 29195593) is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide is O=C(NCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Br)o1.
What is the InChIKey of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide?
The InChIKey is KGGMVXGRGJAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O4S/c18-16-7-6-15(25-16)17(22)19-8-9-20-10-12-21(13-11-20)26(23,24)14-4-2-1-3-5-14/h1-7H,8-13H2,(H,19,22).
What are the key properties of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide?
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide has a molecular weight of 442.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 29195593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).