N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide

C25H23ClN4O3S — CID 39911760

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C25H23ClN4O3S/c26-21-12-11-19(34(32,33)30-13-4-1-5-14-30)16-20(21)25(31)27-18-8-6-7-17(15-18)24-28-22-9-2-3-10-23(22)29-24/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,27,31)(H,28,29)
InChIKeyMIFZBPJHGOUYMJ-UHFFFAOYSA-N
MW495.00 g/mol
LogP5.31
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 39911760) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
PubChem CID39911760
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C25H23ClN4O3S/c26-21-12-11-19(34(32,33)30-13-4-1-5-14-30)16-20(21)25(31)27-18-8-6-7-17(15-18)24-28-22-9-2-3-10-23(22)29-24/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,27,31)(H,28,29)
InChIKeyMIFZBPJHGOUYMJ-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-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
2-(benzenesulfonamido)-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
CID 121040702
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 60620375
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-ethylsulfonylbenzamide
CID 166200173
2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24659572
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55430343
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide (CID 39911760) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MIFZBPJHGOUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c26-21-12-11-19(34(32,33)30-13-4-1-5-14-30)16-20(21)25(31)27-18-8-6-7-17(15-18)24-28-22-9-2-3-10-23(22)29-24/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,27,31)(H,28,29).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide?
N-[3-(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-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 39911760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).