(E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite

C14H22ClNO2S2 — CID 5358535

IUPAC(E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite
SMILESC/C=C/CCC.Cc1ccc(S(=O)(=O)N(C)SCl)cc1
InChIInChI=1S/C8H10ClNO2S2.C6H12/c1-7-3-5-8(6-4-7)14(11,12)10(2)13-9;1-3-5-6-4-2/h3-6H,1-2H3;3,5H,4,6H2,1-2H3/b;5-3+
InChIKeyRUGUKEYPIHDBKY-GWDXERMASA-N
MW335.92 g/mol
LogP4.78
Rot. Bonds5

About (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite

(E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite (PubChem CID 5358535) has the molecular formula C14H22ClNO2S2 and a molecular weight of 335.92 g/mol. Its IUPAC name is (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite.

Molecular Properties

Compound Name(E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite
PubChem CID5358535
Molecular FormulaC14H22ClNO2S2
Molecular Weight335.92 g/mol
Exact Mass335.08
IUPAC Name(E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite
SMILESC/C=C/CCC.Cc1ccc(S(=O)(=O)N(C)SCl)cc1
InChIInChI=1S/C8H10ClNO2S2.C6H12/c1-7-3-5-8(6-4-7)14(11,12)10(2)13-9;1-3-5-6-4-2/h3-6H,1-2H3;3,5H,4,6H2,1-2H3/b;5-3+
InChIKeyRUGUKEYPIHDBKY-GWDXERMASA-N
XLogP4.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite 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

N-(4-chlorobut-2-ynyl)-N-[(Z)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 10871520
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
CID 101256221
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
N,4-dimethyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide
CID 15562356
(3Z,6Z,9Z,12Z,15Z,18Z)-docosa-3,6,9,12,15,18-hexaene;4-methylbenzenesulfonic acid
CID 87495296
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide
CID 142683254
sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
CID 173126628
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N,4-dimethyl-N-[(2S)-4-oxopentan-2-yl]benzenesulfonamide
CID 11391555

Frequently Asked Questions

What is the IUPAC name of (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite?
The IUPAC name of (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite (CID 5358535) is (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite.
What is the SMILES notation for (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite?
The canonical SMILES for (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite is C/C=C/CCC.Cc1ccc(S(=O)(=O)N(C)SCl)cc1.
What is the InChIKey of (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite?
The InChIKey is RUGUKEYPIHDBKY-GWDXERMASA-N. The full InChI is InChI=1S/C8H10ClNO2S2.C6H12/c1-7-3-5-8(6-4-7)14(11,12)10(2)13-9;1-3-5-6-4-2/h3-6H,1-2H3;3,5H,4,6H2,1-2H3/b;5-3+.
What are the key properties of (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite?
(E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite has a molecular weight of 335.92 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-2-ene;[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite is sourced from PubChem (CID 5358535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).