4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide

C18H20N4O5S2 — CID 55434574

IUPAC4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C18H20N4O5S2/c19-28(24,25)14-5-7-15(8-6-14)29(26,27)21-11-9-13(10-12-21)22-17-4-2-1-3-16(17)20-18(22)23/h1-8,13H,9-12H2,(H,20,23)(H2,19,24,25)
InChIKeyPTAZQLBEUNKBEK-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.00
Rot. Bonds4

About 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide

4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 55434574) has the molecular formula C18H20N4O5S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID55434574
Molecular FormulaC18H20N4O5S2
Molecular Weight436.52 g/mol
Exact Mass436.09
IUPAC Name4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1
InChIInChI=1S/C18H20N4O5S2/c19-28(24,25)14-5-7-15(8-6-14)29(26,27)21-11-9-13(10-12-21)22-17-4-2-1-3-16(17)20-18(22)23/h1-8,13H,9-12H2,(H,20,23)(H2,19,24,25)
InChIKeyPTAZQLBEUNKBEK-UHFFFAOYSA-N
XLogP1.00
TPSA135.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 55431748
3-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 3812080
3-[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 55431722
3-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 4285765
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 6735522
3-[1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 46445010
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 3678291
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 47092482
3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 60531984
3-[1-[(1R,2R)-1,2-dimethylcyclopropyl]sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 172968605
4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 55431976
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 55434574) is 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1.
What is the InChIKey of 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is PTAZQLBEUNKBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S2/c19-28(24,25)14-5-7-15(8-6-14)29(26,27)21-11-9-13(10-12-21)22-17-4-2-1-3-16(17)20-18(22)23/h1-8,13H,9-12H2,(H,20,23)(H2,19,24,25).
What are the key properties of 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide?
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 436.52 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 55434574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).