N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide

C20H23N3O3S — CID 154114456

IUPACN-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)Nc1ccc(C(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C20H23N3O3S/c1-2-3-4-7-14-27(25,26)22-17-12-10-16(11-13-17)20(24)23-15-21-18-8-5-6-9-19(18)23/h5-6,8-13,15,22H,2-4,7,14H2,1H3
InChIKeyWOFKWNKBEVFQGS-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.05
Rot. Bonds8

About N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide

N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide (PubChem CID 154114456) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide
PubChem CID154114456
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)Nc1ccc(C(=O)n2cnc3ccccc32)cc1
InChIInChI=1S/C20H23N3O3S/c1-2-3-4-7-14-27(25,26)22-17-12-10-16(11-13-17)20(24)23-15-21-18-8-5-6-9-19(18)23/h5-6,8-13,15,22H,2-4,7,14H2,1H3
InChIKeyWOFKWNKBEVFQGS-UHFFFAOYSA-N
XLogP4.05
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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benzimidazol-1-yl-(3-bromo-4-butoxyphenyl)methanone
CID 4955702
benzimidazol-1-yl-[4-(16-methylheptadecoxy)phenyl]methanone
CID 70380679
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
CID 154755711
benzimidazol-1-yl-(3,4-dimethylphenyl)methanone
CID 741948
3-(octylsulfonylamino)benzoic acid
CID 152726076
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
2-(benzimidazol-1-yl)-2-hexoxyacetic acid
CID 175730599
trimethyl-[4-(tetradecylsulfonylamino)phenyl]azanium iodide
CID 71524083

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide?
The IUPAC name of N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide (CID 154114456) is N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide.
What is the SMILES notation for N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide?
The canonical SMILES for N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide is CCCCCCS(=O)(=O)Nc1ccc(C(=O)n2cnc3ccccc32)cc1.
What is the InChIKey of N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide?
The InChIKey is WOFKWNKBEVFQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-3-4-7-14-27(25,26)22-17-12-10-16(11-13-17)20(24)23-15-21-18-8-5-6-9-19(18)23/h5-6,8-13,15,22H,2-4,7,14H2,1H3.
What are the key properties of N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide?
N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazole-1-carbonyl)phenyl]hexane-1-sulfonamide is sourced from PubChem (CID 154114456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).