N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide

C25H23ClN4O3S — CID 26264651

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C25H23ClN4O3S/c26-21-13-12-19(34(32,33)30-14-4-1-5-15-30)16-20(21)25(31)27-18-10-8-17(9-11-18)24-28-22-6-2-3-7-23(22)29-24/h2-3,6-13,16H,1,4-5,14-15H2,(H,27,31)(H,28,29)
InChIKeyHJOATTAONBFGRG-UHFFFAOYSA-N
MW495.00 g/mol
LogP5.31
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 26264651) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
PubChem CID26264651
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C25H23ClN4O3S/c26-21-13-12-19(34(32,33)30-14-4-1-5-15-30)16-20(21)25(31)27-18-10-8-17(9-11-18)24-28-22-6-2-3-7-23(22)29-24/h2-3,6-13,16H,1,4-5,14-15H2,(H,27,31)(H,28,29)
InChIKeyHJOATTAONBFGRG-UHFFFAOYSA-N
XLogP5.31
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.00
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 39911760
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-ethylsulfonylbenzamide
CID 166200173
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24659572
2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 60620375
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide
CID 166201051
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55430343
2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43876591

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide (CID 26264651) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HJOATTAONBFGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c26-21-13-12-19(34(32,33)30-14-4-1-5-15-30)16-20(21)25(31)27-18-10-8-17(9-11-18)24-28-22-6-2-3-7-23(22)29-24/h2-3,6-13,16H,1,4-5,14-15H2,(H,27,31)(H,28,29).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 495.00 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26264651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).