2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

C18H17Cl2N3O2S — CID 18268675

IUPAC2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17Cl2N3O2S/c19-13-9-14(20)11-15(10-13)26(24,25)23-7-5-12(6-8-23)18-21-16-3-1-2-4-17(16)22-18/h1-4,9-12H,5-8H2,(H,21,22)
InChIKeyOTPWHSRDMXLIPK-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.44
Rot. Bonds3

About 2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 18268675) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
PubChem CID18268675
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17Cl2N3O2S/c19-13-9-14(20)11-15(10-13)26(24,25)23-7-5-12(6-8-23)18-21-16-3-1-2-4-17(16)22-18/h1-4,9-12H,5-8H2,(H,21,22)
InChIKeyOTPWHSRDMXLIPK-UHFFFAOYSA-N
XLogP4.44
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 172895773
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 142409926
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582851
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 18133809
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 146025140
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-chloro-5-nitrobenzamide
CID 121038062

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (CID 18268675) is 2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The InChIKey is OTPWHSRDMXLIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c19-13-9-14(20)11-15(10-13)26(24,25)23-7-5-12(6-8-23)18-21-16-3-1-2-4-17(16)22-18/h1-4,9-12H,5-8H2,(H,21,22).
What are the key properties of 2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole has a molecular weight of 410.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 18268675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).