N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide

C14H22ClIN4O2S2 — CID 120973878

IUPACN'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCC/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C14H21ClN4O2S2.HI/c1-11-10-12(15)2-3-13(11)23(20,21)18-5-4-17-14(16)19-6-8-22-9-7-19;/h2-3,10,18H,4-9H2,1H3,(H2,16,17);1H
InChIKeyYFQGBLCSHLHJJB-UHFFFAOYSA-N
MW504.85 g/mol
LogP1.91
Rot. Bonds5

About N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide

N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 120973878) has the molecular formula C14H22ClIN4O2S2 and a molecular weight of 504.85 g/mol. Its IUPAC name is N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID120973878
Molecular FormulaC14H22ClIN4O2S2
Molecular Weight504.85 g/mol
Exact Mass503.99
IUPAC NameN'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCC/N=C(\N)N1CCSCC1.I
InChIInChI=1S/C14H21ClN4O2S2.HI/c1-11-10-12(15)2-3-13(11)23(20,21)18-5-4-17-14(16)19-6-8-22-9-7-19;/h2-3,10,18H,4-9H2,1H3,(H2,16,17);1H
InChIKeyYFQGBLCSHLHJJB-UHFFFAOYSA-N
XLogP1.91
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.85
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]ethyl]azepane-1-carboximidamide
CID 120727925
2-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 120973888
N'-[2-[(2,4-difluorophenyl)sulfonylamino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 120727814
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide
CID 111043818
N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111043993
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
4-methyl-N'-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110920727
4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160
4-chloro-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994425
N'-[(2-methyl-4-sulfamoylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120581686

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 120973878) is N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide is Cc1cc(Cl)ccc1S(=O)(=O)NCC/N=C(\N)N1CCSCC1.I.
What is the InChIKey of N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is YFQGBLCSHLHJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2S2.HI/c1-11-10-12(15)2-3-13(11)23(20,21)18-5-4-17-14(16)19-6-8-22-9-7-19;/h2-3,10,18H,4-9H2,1H3,(H2,16,17);1H.
What are the key properties of N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 504.85 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-chloro-2-methylphenyl)sulfonylamino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120973878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).