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

C16H26ClIN4O2S — CID 110957505

IUPAC1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCNS(=O)(=O)c1cccc(Cl)c1)NC1CCCCC1.I
InChIInChI=1S/C16H25ClN4O2S.HI/c1-18-16(21-14-7-3-2-4-8-14)19-10-11-20-24(22,23)15-9-5-6-13(17)12-15;/h5-6,9,12,14,20H,2-4,7-8,10-11H2,1H3,(H2,18,19,21);1H
InChIKeySQDNUQHPOQXQFY-UHFFFAOYSA-N
MW500.83 g/mol
LogP2.73
Rot. Bonds6

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

1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide (PubChem CID 110957505) has the molecular formula C16H26ClIN4O2S and a molecular weight of 500.83 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
PubChem CID110957505
Molecular FormulaC16H26ClIN4O2S
Molecular Weight500.83 g/mol
Exact Mass500.05
IUPAC Name1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCNS(=O)(=O)c1cccc(Cl)c1)NC1CCCCC1.I
InChIInChI=1S/C16H25ClN4O2S.HI/c1-18-16(21-14-7-3-2-4-8-14)19-10-11-20-24(22,23)15-9-5-6-13(17)12-15;/h5-6,9,12,14,20H,2-4,7-8,10-11H2,1H3,(H2,18,19,21);1H
InChIKeySQDNUQHPOQXQFY-UHFFFAOYSA-N
XLogP2.73
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.83
LogP ≤ 52.73
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

1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914279
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111391738
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442581
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
CID 111391739
1-benzyl-3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-methylguanidine
CID 110952824
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111894153
1-cyclopentyl-3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-methylguanidine;hydroiodide
CID 110990604
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111642765
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210097
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111231229
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111897264
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 45273834

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide (CID 110957505) is 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide is C/N=C(\NCCNS(=O)(=O)c1cccc(Cl)c1)NC1CCCCC1.I.
What is the InChIKey of 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide?
The InChIKey is SQDNUQHPOQXQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2S.HI/c1-18-16(21-14-7-3-2-4-8-14)19-10-11-20-24(22,23)15-9-5-6-13(17)12-15;/h5-6,9,12,14,20H,2-4,7-8,10-11H2,1H3,(H2,18,19,21);1H.
What are the key properties of 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide?
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide has a molecular weight of 500.83 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110957505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).