2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide

C15H18ClIN4O2S — CID 110917114

IUPAC2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CCNS(=O)(=O)c1cccc(Cl)c1)Nc1ccccc1
InChIInChI=1S/C15H17ClN4O2S.HI/c16-12-5-4-8-14(11-12)23(21,22)19-10-9-18-15(17)20-13-6-2-1-3-7-13;/h1-8,11,19H,9-10H2,(H3,17,18,20);1H
InChIKeyIIBLCVWOFLFLMP-UHFFFAOYSA-N
MW480.76 g/mol
LogP2.66
Rot. Bonds6

About 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide

2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide (PubChem CID 110917114) has the molecular formula C15H18ClIN4O2S and a molecular weight of 480.76 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide
PubChem CID110917114
Molecular FormulaC15H18ClIN4O2S
Molecular Weight480.76 g/mol
Exact Mass479.99
IUPAC Name2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CCNS(=O)(=O)c1cccc(Cl)c1)Nc1ccccc1
InChIInChI=1S/C15H17ClN4O2S.HI/c16-12-5-4-8-14(11-12)23(21,22)19-10-9-18-15(17)20-13-6-2-1-3-7-13;/h1-8,11,19H,9-10H2,(H3,17,18,20);1H
InChIKeyIIBLCVWOFLFLMP-UHFFFAOYSA-N
XLogP2.66
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.76
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 110917106
1-tert-butyl-2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine
CID 111043966
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propan-2-ylguanidine
CID 111043974
1-(4-ethylphenyl)-2-[2-[(3-nitrophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111085250
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine
CID 111043972
2-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111043793
N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111043993
1-phenyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110912467
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide (CID 110917114) is 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide is I.N/C(=N\CCNS(=O)(=O)c1cccc(Cl)c1)Nc1ccccc1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide?
The InChIKey is IIBLCVWOFLFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S.HI/c16-12-5-4-8-14(11-12)23(21,22)19-10-9-18-15(17)20-13-6-2-1-3-7-13;/h1-8,11,19H,9-10H2,(H3,17,18,20);1H.
What are the key properties of 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide?
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide has a molecular weight of 480.76 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110917114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).