4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide

C15H20Cl2N4O2S — CID 110611063

IUPAC4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C15H20Cl2N4O2S/c1-2-5-18-24(22,23)21-6-3-10(4-7-21)15-19-13-8-11(16)12(17)9-14(13)20-15/h8-10,18H,2-7H2,1H3,(H,19,20)
InChIKeyPRVPRYMWBQITJD-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.29
Rot. Bonds5

About 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide

4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide (PubChem CID 110611063) has the molecular formula C15H20Cl2N4O2S and a molecular weight of 391.32 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide
PubChem CID110611063
Molecular FormulaC15H20Cl2N4O2S
Molecular Weight391.32 g/mol
Exact Mass390.07
IUPAC Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C15H20Cl2N4O2S/c1-2-5-18-24(22,23)21-6-3-10(4-7-21)15-19-13-8-11(16)12(17)9-14(13)20-15/h8-10,18H,2-7H2,1H3,(H,19,20)
InChIKeyPRVPRYMWBQITJD-UHFFFAOYSA-N
XLogP3.29
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 110611061
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide
CID 110603188
5,6-dichloro-2-cycloheptyl-1H-benzimidazole
CID 82004587
2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole
CID 82003889
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone
CID 83896303
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
2-[1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 112807240
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-propylpiperidine-1-carbothioamide
CID 3223913
6-chloro-2-[1-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 98111895
2-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582851

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide?
The IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide (CID 110611063) is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide is CCCNS(=O)(=O)N1CCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide?
The InChIKey is PRVPRYMWBQITJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4O2S/c1-2-5-18-24(22,23)21-6-3-10(4-7-21)15-19-13-8-11(16)12(17)9-14(13)20-15/h8-10,18H,2-7H2,1H3,(H,19,20).
What are the key properties of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide?
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide has a molecular weight of 391.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 110611063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).