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

C9H14ClIN4O2S — CID 110917106

IUPAC2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
SMILESI.NC(N)=NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H13ClN4O2S.HI/c10-7-2-1-3-8(6-7)17(15,16)14-5-4-13-9(11)12;/h1-3,6,14H,4-5H2,(H4,11,12,13);1H
InChIKeyUGVBHJHWQUNYBB-UHFFFAOYSA-N
MW404.66 g/mol
LogP0.51
Rot. Bonds5

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

2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide (PubChem CID 110917106) has the molecular formula C9H14ClIN4O2S and a molecular weight of 404.66 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
PubChem CID110917106
Molecular FormulaC9H14ClIN4O2S
Molecular Weight404.66 g/mol
Exact Mass403.96
IUPAC Name2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
SMILESI.NC(N)=NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H13ClN4O2S.HI/c10-7-2-1-3-8(6-7)17(15,16)14-5-4-13-9(11)12;/h1-3,6,14H,4-5H2,(H4,11,12,13);1H
InChIKeyUGVBHJHWQUNYBB-UHFFFAOYSA-N
XLogP0.51
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.66
LogP ≤ 50.51
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]-1-phenylguanidine;hydroiodide
CID 110917114
1-tert-butyl-2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine
CID 111043966
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propan-2-ylguanidine
CID 111043974
N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111043993
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine
CID 111043972
tert-butyl N-[2-[[N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883640
2-[[N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
CID 111009533
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
3-chloro-N-pent-3-ynylbenzenesulfonamide
CID 115977985

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide (CID 110917106) is 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide is I.NC(N)=NCCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide?
The InChIKey is UGVBHJHWQUNYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2S.HI/c10-7-2-1-3-8(6-7)17(15,16)14-5-4-13-9(11)12;/h1-3,6,14H,4-5H2,(H4,11,12,13);1H.
What are the key properties of 2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide?
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide has a molecular weight of 404.66 g/mol, XLogP of 0.51, 5 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]guanidine;hydroiodide is sourced from PubChem (CID 110917106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).