2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide

C15H20ClN3O2S — CID 140993558

IUPAC2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccc(Cl)cc1)NCCCCn1ccnc1
InChIInChI=1S/C15H20ClN3O2S/c16-15-5-3-14(4-6-15)7-12-22(20,21)18-8-1-2-10-19-11-9-17-13-19/h3-6,9,11,13,18H,1-2,7-8,10,12H2
InChIKeyKWWSZRVNZSUDBW-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.48
Rot. Bonds9

About 2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide

2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide (PubChem CID 140993558) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide
PubChem CID140993558
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide
SMILESO=S(=O)(CCc1ccc(Cl)cc1)NCCCCn1ccnc1
InChIInChI=1S/C15H20ClN3O2S/c16-15-5-3-14(4-6-15)7-12-22(20,21)18-8-1-2-10-19-11-9-17-13-19/h3-6,9,11,13,18H,1-2,7-8,10,12H2
InChIKeyKWWSZRVNZSUDBW-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
CID 140993552
N-(4-imidazol-1-ylbutyl)-4-(methylamino)butane-1-sulfonamide
CID 106054419
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
N-(6-imidazol-1-ylhexyl)methanesulfonamide
CID 110441232
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299
2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
5-(aminomethyl)-N-(4-imidazol-1-ylbutyl)pyridine-2-sulfonamide
CID 106054447
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide (CID 140993558) is 2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide is O=S(=O)(CCc1ccc(Cl)cc1)NCCCCn1ccnc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide?
The InChIKey is KWWSZRVNZSUDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c16-15-5-3-14(4-6-15)7-12-22(20,21)18-8-1-2-10-19-11-9-17-13-19/h3-6,9,11,13,18H,1-2,7-8,10,12H2.
What are the key properties of 2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide?
2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide has a molecular weight of 341.86 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-imidazol-1-ylbutyl)ethanesulfonamide is sourced from PubChem (CID 140993558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).