sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride

C19H27ClNNaO4S — CID 173348194

IUPACsodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride
SMILESO=C(O)CCC/C=C\CCC1(NS(=O)(=O)c2ccc(Cl)cc2)CCCC1.[H-].[Na+]
InChIInChI=1S/C19H26ClNO4S.Na.H/c20-16-9-11-17(12-10-16)26(24,25)21-19(14-6-7-15-19)13-5-3-1-2-4-8-18(22)23;;/h1,3,9-12,21H,2,4-8,13-15H2,(H,22,23);;/q;+1;-1/b3-1-;;
InChIKeyMQHJXKBABWJSLC-KUGGNXEISA-N
MW423.94 g/mol
LogP1.64
Rot. Bonds10

About sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride

sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride (PubChem CID 173348194) has the molecular formula C19H27ClNNaO4S and a molecular weight of 423.94 g/mol. Its IUPAC name is sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride.

Molecular Properties

Compound Namesodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride
PubChem CID173348194
Molecular FormulaC19H27ClNNaO4S
Molecular Weight423.94 g/mol
Exact Mass423.12
IUPAC Namesodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride
SMILESO=C(O)CCC/C=C\CCC1(NS(=O)(=O)c2ccc(Cl)cc2)CCCC1.[H-].[Na+]
InChIInChI=1S/C19H26ClNO4S.Na.H/c20-16-9-11-17(12-10-16)26(24,25)21-19(14-6-7-15-19)13-5-3-1-2-4-8-18(22)23;;/h1,3,9-12,21H,2,4-8,13-15H2,(H,22,23);;/q;+1;-1/b3-1-;;
InChIKeyMQHJXKBABWJSLC-KUGGNXEISA-N
XLogP1.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 51.64
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

6-[1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]cyclohexyl]hex-4-enoic acid
CID 56981764
methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate
CID 23353797
(Z)-6-[(2S,4R)-1-[(4-chlorophenyl)methyl]-4-[(4-chlorophenyl)sulfonylamino]pyrrolidin-2-yl]hex-5-enoic acid
CID 15670420
1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 4252683
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171
(Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid
CID 67905182
(Z)-9-(benzenesulfonamido)non-5-enoic acid
CID 15052909
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64701151
(Z)-6-[(2S,4R)-1-(4-chlorophenyl)sulfonyl-4-[(4-methylphenyl)sulfonylamino]pyrrolidin-2-yl]hex-5-enoic acid
CID 67864093
4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzamide
CID 62522485
2-chloro-5-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 62518568

Frequently Asked Questions

What is the IUPAC name of sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride?
The IUPAC name of sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride (CID 173348194) is sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride.
What is the SMILES notation for sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride?
The canonical SMILES for sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride is O=C(O)CCC/C=C\CCC1(NS(=O)(=O)c2ccc(Cl)cc2)CCCC1.[H-].[Na+].
What is the InChIKey of sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride?
The InChIKey is MQHJXKBABWJSLC-KUGGNXEISA-N. The full InChI is InChI=1S/C19H26ClNO4S.Na.H/c20-16-9-11-17(12-10-16)26(24,25)21-19(14-6-7-15-19)13-5-3-1-2-4-8-18(22)23;;/h1,3,9-12,21H,2,4-8,13-15H2,(H,22,23);;/q;+1;-1/b3-1-;;.
What are the key properties of sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride?
sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride has a molecular weight of 423.94 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride is sourced from PubChem (CID 173348194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).