N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide

C12H18N4O2S — CID 110759938

IUPACN-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H18N4O2S/c1-16(2)7-3-6-15-19(17,18)10-4-5-11-12(8-10)14-9-13-11/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyWIGVFWCJDJJGRM-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.79
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide

N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide (PubChem CID 110759938) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
PubChem CID110759938
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H18N4O2S/c1-16(2)7-3-6-15-19(17,18)10-4-5-11-12(8-10)14-9-13-11/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyWIGVFWCJDJJGRM-UHFFFAOYSA-N
XLogP0.79
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.79
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-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760105
N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759965
N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759966
2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
CID 62145237
N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760103
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 110791415
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791407
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
N-[3-(dimethylamino)propyl]-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 170502375
N-[3-(dimethylamino)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8716732

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide (CID 110759938) is N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide is CN(C)CCCNS(=O)(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is WIGVFWCJDJJGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-16(2)7-3-6-15-19(17,18)10-4-5-11-12(8-10)14-9-13-11/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide?
N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110759938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).