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

C19H20N4O3S — CID 43981442

IUPAC4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C19H20N4O3S/c20-27(25,26)15-7-5-14(6-8-15)19(24)23-11-9-13(10-12-23)18-21-16-3-1-2-4-17(16)22-18/h1-8,13H,9-12H2,(H,21,22)(H2,20,25,26)
InChIKeyQSQFHMYVECPADC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.23
Rot. Bonds3

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

4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 43981442) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID43981442
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C19H20N4O3S/c20-27(25,26)15-7-5-14(6-8-15)19(24)23-11-9-13(10-12-23)18-21-16-3-1-2-4-17(16)22-18/h1-8,13H,9-12H2,(H,21,22)(H2,20,25,26)
InChIKeyQSQFHMYVECPADC-UHFFFAOYSA-N
XLogP2.23
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
CID 46851512
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-thiophen-2-ylphenyl)methanone
CID 46851674
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 38372032
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90505755
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 90505752
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 3223538
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 43981442) is 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is QSQFHMYVECPADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c20-27(25,26)15-7-5-14(6-8-15)19(24)23-11-9-13(10-12-23)18-21-16-3-1-2-4-17(16)22-18/h1-8,13H,9-12H2,(H,21,22)(H2,20,25,26).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 43981442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).