sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide

C17H15ClNNaO3S — CID 23700221

IUPACsodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide
SMILESCc1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c(C)c1.[Na+]
InChIInChI=1S/C17H16ClNO3S.Na/c1-12-6-7-16(13(2)10-12)17(20)19-23(21,22)9-8-14-4-3-5-15(18)11-14;/h3-11H,1-2H3,(H,19,20);/q;+1/p-1/b9-8+;
InChIKeyLYXFNCMKMSDJBJ-HRNDJLQDSA-M
MW371.82 g/mol
LogP1.48
Rot. Bonds4

About sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide

sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide (PubChem CID 23700221) has the molecular formula C17H15ClNNaO3S and a molecular weight of 371.82 g/mol. Its IUPAC name is sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide.

Molecular Properties

Compound Namesodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide
PubChem CID23700221
Molecular FormulaC17H15ClNNaO3S
Molecular Weight371.82 g/mol
Exact Mass371.04
IUPAC Namesodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide
SMILESCc1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c(C)c1.[Na+]
InChIInChI=1S/C17H16ClNO3S.Na/c1-12-6-7-16(13(2)10-12)17(20)19-23(21,22)9-8-14-4-3-5-15(18)11-14;/h3-11H,1-2H3,(H,19,20);/q;+1/p-1/b9-8+;
InChIKeyLYXFNCMKMSDJBJ-HRNDJLQDSA-M
XLogP1.48
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide?
The IUPAC name of sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide (CID 23700221) is sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide.
What is the SMILES notation for sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide?
The canonical SMILES for sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide is Cc1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c(C)c1.[Na+].
What is the InChIKey of sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide?
The InChIKey is LYXFNCMKMSDJBJ-HRNDJLQDSA-M. The full InChI is InChI=1S/C17H16ClNO3S.Na/c1-12-6-7-16(13(2)10-12)17(20)19-23(21,22)9-8-14-4-3-5-15(18)11-14;/h3-11H,1-2H3,(H,19,20);/q;+1/p-1/b9-8+;.
What are the key properties of sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide?
sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide has a molecular weight of 371.82 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-(2,4-dimethylbenzoyl)azanide is sourced from PubChem (CID 23700221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).