sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid

C11H19ClNNaO6S3 — CID 87610468

IUPACsodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid
SMILESO=S(=O)(O)O.[CH2-]C(NS(=O)(=O)c1ccc(Cl)s1)C(CC)CC.[Na+]
InChIInChI=1S/C11H17ClNO2S2.Na.H2O4S/c1-4-9(5-2)8(3)13-17(14,15)11-7-6-10(12)16-11;;1-5(2,3)4/h6-9,13H,3-5H2,1-2H3;;(H2,1,2,3,4)/q-1;+1;
InChIKeyUOKFPAZXNKHKRF-UHFFFAOYSA-N
MW415.92 g/mol
LogP-0.33
Rot. Bonds6

About sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid

sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid (PubChem CID 87610468) has the molecular formula C11H19ClNNaO6S3 and a molecular weight of 415.92 g/mol. Its IUPAC name is sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid.

Molecular Properties

Compound Namesodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid
PubChem CID87610468
Molecular FormulaC11H19ClNNaO6S3
Molecular Weight415.92 g/mol
Exact Mass415.00
IUPAC Namesodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid
SMILESO=S(=O)(O)O.[CH2-]C(NS(=O)(=O)c1ccc(Cl)s1)C(CC)CC.[Na+]
InChIInChI=1S/C11H17ClNO2S2.Na.H2O4S/c1-4-9(5-2)8(3)13-17(14,15)11-7-6-10(12)16-11;;1-5(2,3)4/h6-9,13H,3-5H2,1-2H3;;(H2,1,2,3,4)/q-1;+1;
InChIKeyUOKFPAZXNKHKRF-UHFFFAOYSA-N
XLogP-0.33
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
CID 66930253
5-chloro-N-[(2S,3S)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 44571758
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
N-(2-bromo-3-ethylpentyl)-5-chlorothiophene-2-sulfonamide
CID 106288687
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
2-[(5-chlorothiophen-2-yl)sulfonylamino]pentanedioic acid
CID 60640830
5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 61144815
N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide
CID 22201496
5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
CID 10110420
5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
CID 22500763

Frequently Asked Questions

What is the IUPAC name of sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid?
The IUPAC name of sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid (CID 87610468) is sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid.
What is the SMILES notation for sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid?
The canonical SMILES for sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid is O=S(=O)(O)O.[CH2-]C(NS(=O)(=O)c1ccc(Cl)s1)C(CC)CC.[Na+].
What is the InChIKey of sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid?
The InChIKey is UOKFPAZXNKHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClNO2S2.Na.H2O4S/c1-4-9(5-2)8(3)13-17(14,15)11-7-6-10(12)16-11;;1-5(2,3)4/h6-9,13H,3-5H2,1-2H3;;(H2,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid?
sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid has a molecular weight of 415.92 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid is sourced from PubChem (CID 87610468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).