sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride

C9H12ClNaO5S — CID 173365273

IUPACsodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride
SMILESCOCCOc1c(Cl)cccc1S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C9H11ClO5S.Na.H/c1-14-5-6-15-9-7(10)3-2-4-8(9)16(11,12)13;;/h2-4H,5-6H2,1H3,(H,11,12,13);;/q;+1;-1
InChIKeyCNGZYTQNNOKHSP-UHFFFAOYSA-N
MW290.70 g/mol
LogP-1.27
Rot. Bonds5

About sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride

sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride (PubChem CID 173365273) has the molecular formula C9H12ClNaO5S and a molecular weight of 290.70 g/mol. Its IUPAC name is sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride
PubChem CID173365273
Molecular FormulaC9H12ClNaO5S
Molecular Weight290.70 g/mol
Exact Mass290.00
IUPAC Namesodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride
SMILESCOCCOc1c(Cl)cccc1S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C9H11ClO5S.Na.H/c1-14-5-6-15-9-7(10)3-2-4-8(9)16(11,12)13;;/h2-4H,5-6H2,1H3,(H,11,12,13);;/q;+1;-1
InChIKeyCNGZYTQNNOKHSP-UHFFFAOYSA-N
XLogP-1.27
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
1-chloro-3-(chloromethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104564283
N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide
CID 51094585
potassium;hydride;3-hydroxy-2-methoxybenzenesulfonic acid
CID 175242674
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
3-chloro-2-iodobenzenesulfonic acid
CID 151573815
naphthalene-1,5-disulfonic acid;silver
CID 88762000
2-(4-aminophenyl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 86813908
4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
CID 120590484

Frequently Asked Questions

What is the IUPAC name of sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride?
The IUPAC name of sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride (CID 173365273) is sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride.
What is the SMILES notation for sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride?
The canonical SMILES for sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride is COCCOc1c(Cl)cccc1S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride?
The InChIKey is CNGZYTQNNOKHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO5S.Na.H/c1-14-5-6-15-9-7(10)3-2-4-8(9)16(11,12)13;;/h2-4H,5-6H2,1H3,(H,11,12,13);;/q;+1;-1.
What are the key properties of sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride?
sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride has a molecular weight of 290.70 g/mol, XLogP of -1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride is sourced from PubChem (CID 173365273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).