1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine

C15H25ClN4O2S — CID 111043972

IUPAC1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine
SMILESCCCCCC/N=C(\N)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN4O2S/c1-2-3-4-5-9-18-15(17)19-10-11-20-23(21,22)14-8-6-7-13(16)12-14/h6-8,12,20H,2-5,9-11H2,1H3,(H3,17,18,19)
InChIKeyGMGRWPIYJIQZRB-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.10
Rot. Bonds10

About 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine

1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine (PubChem CID 111043972) has the molecular formula C15H25ClN4O2S and a molecular weight of 360.91 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine
PubChem CID111043972
Molecular FormulaC15H25ClN4O2S
Molecular Weight360.91 g/mol
Exact Mass360.14
IUPAC Name1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine
SMILESCCCCCC/N=C(\N)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN4O2S/c1-2-3-4-5-9-18-15(17)19-10-11-20-23(21,22)14-8-6-7-13(16)12-14/h6-8,12,20H,2-5,9-11H2,1H3,(H3,17,18,19)
InChIKeyGMGRWPIYJIQZRB-UHFFFAOYSA-N
XLogP2.10
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.10
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'}

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Related Compounds

2-hexyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine
CID 111043762
1-tert-butyl-2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine
CID 111043966
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propan-2-ylguanidine
CID 111043974
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 110917106
1-[2-(benzenesulfonyl)ethyl]-2-hexylguanidine
CID 111065100
2-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-phenylguanidine;hydroiodide
CID 110917114
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
CID 46515955
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111894153

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine?
The IUPAC name of 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine (CID 111043972) is 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine?
The canonical SMILES for 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine is CCCCCC/N=C(\N)NCCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine?
The InChIKey is GMGRWPIYJIQZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O2S/c1-2-3-4-5-9-18-15(17)19-10-11-20-23(21,22)14-8-6-7-13(16)12-14/h6-8,12,20H,2-5,9-11H2,1H3,(H3,17,18,19).
What are the key properties of 1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine?
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-hexylguanidine has a molecular weight of 360.91 g/mol, XLogP of 2.10, 10 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]-2-hexylguanidine is sourced from PubChem (CID 111043972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).