(Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide

C17H23BrN2O3S — CID 139697175

IUPAC(Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide
SMILESNC(=O)CCC/C=C\[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C17H23BrN2O3S/c18-14-7-10-16(11-8-14)24(22,23)20-15-9-6-13(12-15)4-2-1-3-5-17(19)21/h2,4,7-8,10-11,13,15,20H,1,3,5-6,9,12H2,(H2,19,21)/b4-2-/t13-,15+/m1/s1
InChIKeyXEZJXSODRVRQKW-GOXQEFCWSA-N
MW415.35 g/mol
LogP3.11
Rot. Bonds8

About (Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide

(Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide (PubChem CID 139697175) has the molecular formula C17H23BrN2O3S and a molecular weight of 415.35 g/mol. Its IUPAC name is (Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide.

Molecular Properties

Compound Name(Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide
PubChem CID139697175
Molecular FormulaC17H23BrN2O3S
Molecular Weight415.35 g/mol
Exact Mass414.06
IUPAC Name(Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide
SMILESNC(=O)CCC/C=C\[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C17H23BrN2O3S/c18-14-7-10-16(11-8-14)24(22,23)20-15-9-6-13(12-15)4-2-1-3-5-17(19)21/h2,4,7-8,10-11,13,15,20H,1,3,5-6,9,12H2,(H2,19,21)/b4-2-/t13-,15+/m1/s1
InChIKeyXEZJXSODRVRQKW-GOXQEFCWSA-N
XLogP3.11
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-6-[3-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid
CID 18798070
2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60707706
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
3-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]prop-2-enoic acid
CID 67899502
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741660
(E)-6-[3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid
CID 18798010
6-[3-[2-(4-iodophenyl)ethenylsulfonylamino]cyclopentyl]hex-5-enoic acid
CID 54270461
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
4-bromo-N-[[3-[(Z)-6-hydroxyhex-1-enyl]-2-bicyclo[2.2.1]heptanyl]methyl]benzenesulfonamide
CID 70396543
6-[3-[(4-bromophenyl)sulfonylamino]pyrrolidin-1-yl]hexanoic acid
CID 139613526
4-bromo-N-(1,1-dioxothian-4-yl)benzenesulfonamide
CID 59744414

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide?
The IUPAC name of (Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide (CID 139697175) is (Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide.
What is the SMILES notation for (Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide?
The canonical SMILES for (Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide is NC(=O)CCC/C=C\[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of (Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide?
The InChIKey is XEZJXSODRVRQKW-GOXQEFCWSA-N. The full InChI is InChI=1S/C17H23BrN2O3S/c18-14-7-10-16(11-8-14)24(22,23)20-15-9-6-13(12-15)4-2-1-3-5-17(19)21/h2,4,7-8,10-11,13,15,20H,1,3,5-6,9,12H2,(H2,19,21)/b4-2-/t13-,15+/m1/s1.
What are the key properties of (Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide?
(Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide has a molecular weight of 415.35 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[(1R,3S)-3-[(4-bromophenyl)sulfonylamino]cyclopentyl]hex-5-enamide is sourced from PubChem (CID 139697175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).