3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone

C20H21N3O4S — CID 90591860

IUPAC3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1
InChIInChI=1S/C20H21N3O4S/c1-27-15-3-5-16(6-4-15)28(25,26)17-8-10-23(11-9-17)20(24)14-2-7-18-19(12-14)22-13-21-18/h2-7,12-13,17H,8-11H2,1H3,(H,21,22)
InChIKeyGUJHRJICCBTDFG-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.65
Rot. Bonds4

About 3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 90591860) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID90591860
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1
InChIInChI=1S/C20H21N3O4S/c1-27-15-3-5-16(6-4-15)28(25,26)17-8-10-23(11-9-17)20(24)14-2-7-18-19(12-14)22-13-21-18/h2-7,12-13,17H,8-11H2,1H3,(H,21,22)
InChIKeyGUJHRJICCBTDFG-UHFFFAOYSA-N
XLogP2.65
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]benzonitrile
CID 71809004
3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110745920
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3H-benzimidazol-5-yl-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590552
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 90589712
3H-benzimidazol-5-yl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544139
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone (CID 90591860) is 3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone is COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is GUJHRJICCBTDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-27-15-3-5-16(6-4-15)28(25,26)17-8-10-23(11-9-17)20(24)14-2-7-18-19(12-14)22-13-21-18/h2-7,12-13,17H,8-11H2,1H3,(H,21,22).
What are the key properties of 3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 399.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 90591860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).