N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide

C17H19N3O3S — CID 110603181

IUPACN-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
SMILESO=c1[nH]c2ccccc2n1CCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H19N3O3S/c21-17-19-15-9-4-5-10-16(15)20(17)12-6-11-18-24(22,23)13-14-7-2-1-3-8-14/h1-5,7-10,18H,6,11-13H2,(H,19,21)
InChIKeyQCQSSWQDTATNLM-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.84
Rot. Bonds7

About N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide

N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide (PubChem CID 110603181) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
PubChem CID110603181
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
SMILESO=c1[nH]c2ccccc2n1CCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H19N3O3S/c21-17-19-15-9-4-5-10-16(15)20(17)12-6-11-18-24(22,23)13-14-7-2-1-3-8-14/h1-5,7-10,18H,6,11-13H2,(H,19,21)
InChIKeyQCQSSWQDTATNLM-UHFFFAOYSA-N
XLogP1.84
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
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-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110400794
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
3-(3-phenoxypropyl)-1H-benzimidazol-2-one
CID 649414
2-(4-fluorophenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110617588
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
CID 70523740
CID 70523740
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
CID 110419711
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide
CID 110396364
3-(3-aminooxypropyl)-1H-benzimidazol-2-one
CID 106938634
3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110610959

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide (CID 110603181) is N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide is O=c1[nH]c2ccccc2n1CCCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide?
The InChIKey is QCQSSWQDTATNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17-19-15-9-4-5-10-16(15)20(17)12-6-11-18-24(22,23)13-14-7-2-1-3-8-14/h1-5,7-10,18H,6,11-13H2,(H,19,21).
What are the key properties of N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide?
N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110603181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).