4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide

C20H22N4O5S — CID 55431976

IUPAC4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H22N4O5S/c1-29-18-7-6-14(30(21,27)28)12-15(18)19(25)23-10-8-13(9-11-23)24-17-5-3-2-4-16(17)22-20(24)26/h2-7,12-13H,8-11H2,1H3,(H,22,26)(H2,21,27,28)
InChIKeyCUWOAXFTZONXBC-UHFFFAOYSA-N
MW430.49 g/mol
LogP1.46
Rot. Bonds4

About 4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide

4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 55431976) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID55431976
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H22N4O5S/c1-29-18-7-6-14(30(21,27)28)12-15(18)19(25)23-10-8-13(9-11-23)24-17-5-3-2-4-16(17)22-20(24)26/h2-7,12-13H,8-11H2,1H3,(H,22,26)(H2,21,27,28)
InChIKeyCUWOAXFTZONXBC-UHFFFAOYSA-N
XLogP1.46
TPSA127.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 55434574
4-methoxy-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120994866
N-(2,5-dimethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 23878679
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-(2-methyl-5-methylsulfanylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 52559061
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67169362
3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46524673
3-[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55432764
3-[1-[1-(3-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42665803
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 55431976) is 4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is CUWOAXFTZONXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-29-18-7-6-14(30(21,27)28)12-15(18)19(25)23-10-8-13(9-11-23)24-17-5-3-2-4-16(17)22-20(24)26/h2-7,12-13H,8-11H2,1H3,(H,22,26)(H2,21,27,28).
What are the key properties of 4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide?
4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 430.49 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55431976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).