5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole

C20H23N3O4S2 — CID 1459456

IUPAC5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole
SMILESCc1cc2ncn(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2cc1C
InChIInChI=1S/C20H23N3O4S2/c1-15-12-19-20(13-16(15)2)23(14-21-19)29(26,27)18-8-6-17(7-9-18)28(24,25)22-10-4-3-5-11-22/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyKZCULSBKJXDPEF-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.06
Rot. Bonds4

About 5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole

5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole (PubChem CID 1459456) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole
PubChem CID1459456
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC Name5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole
SMILESCc1cc2ncn(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2cc1C
InChIInChI=1S/C20H23N3O4S2/c1-15-12-19-20(13-16(15)2)23(14-21-19)29(26,27)18-8-6-17(7-9-18)28(24,25)22-10-4-3-5-11-22/h6-9,12-14H,3-5,10-11H2,1-2H3
InChIKeyKZCULSBKJXDPEF-UHFFFAOYSA-N
XLogP3.06
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylbenzimidazole
CID 3668875
1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 673991
5-(azepan-1-ylsulfonyl)-1-methylbenzimidazole
CID 110760298
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
4-(5,6-dimethylbenzimidazol-1-yl)sulfonylmorpholine
CID 973788
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
azepan-1-yl-(5,6-dimethylbenzimidazol-1-yl)methanone
CID 2928818
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168512938
N-(2,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8504701
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzimidazole
CID 66613922

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole?
The IUPAC name of 5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole (CID 1459456) is 5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole is Cc1cc2ncn(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole?
The InChIKey is KZCULSBKJXDPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-15-12-19-20(13-16(15)2)23(14-21-19)29(26,27)18-8-6-17(7-9-18)28(24,25)22-10-4-3-5-11-22/h6-9,12-14H,3-5,10-11H2,1-2H3.
What are the key properties of 5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole?
5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole has a molecular weight of 433.56 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 1459456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).