N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide

C21H24N4O3S — CID 2583459

IUPACN-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)C1
InChIInChI=1S/C21H24N4O3S/c1-14-11-15(2)13-25(12-14)29(27,28)17-9-7-16(8-10-17)20(26)24-21-22-18-5-3-4-6-19(18)23-21/h3-10,14-15H,11-13H2,1-2H3,(H2,22,23,24,26)/t14-,15+
InChIKeyCHOCVVHZIWSERO-GASCZTMLSA-N
MW412.52 g/mol
LogP3.48
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide

N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 2583459) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
PubChem CID2583459
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)C1
InChIInChI=1S/C21H24N4O3S/c1-14-11-15(2)13-25(12-14)29(27,28)17-9-7-16(8-10-17)20(26)24-21-22-18-5-3-4-6-19(18)23-21/h3-10,14-15H,11-13H2,1-2H3,(H2,22,23,24,26)/t14-,15+
InChIKeyCHOCVVHZIWSERO-GASCZTMLSA-N
XLogP3.48
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 27602175
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 5168409
N-(1H-benzimidazol-2-yl)-3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 2161818
N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 42905920
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(triazol-1-yl)phenyl]benzamide
CID 112835248
N-(1H-benzimidazol-2-ylmethyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 112791112
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 60620449
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 136761991
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 75815245

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide (CID 2583459) is N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide is C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)C1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is CHOCVVHZIWSERO-GASCZTMLSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-11-15(2)13-25(12-14)29(27,28)17-9-7-16(8-10-17)20(26)24-21-22-18-5-3-4-6-19(18)23-21/h3-10,14-15H,11-13H2,1-2H3,(H2,22,23,24,26)/t14-,15+.
What are the key properties of N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 412.52 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 2583459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).