4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide

C22H23ClN4O3S — CID 46427584

IUPAC4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1Cn1cccn1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H23ClN4O3S/c23-19-10-9-17(15-21(19)31(29,30)27-13-4-1-5-14-27)22(28)25-20-8-3-2-7-18(20)16-26-12-6-11-24-26/h2-3,6-12,15H,1,4-5,13-14,16H2,(H,25,28)
InChIKeyHFGKCNTXYQBBDD-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.01
Rot. Bonds6

About 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide

4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 46427584) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID46427584
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC Name4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1Cn1cccn1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H23ClN4O3S/c23-19-10-9-17(15-21(19)31(29,30)27-13-4-1-5-14-27)22(28)25-20-8-3-2-7-18(20)16-26-12-6-11-24-26/h2-3,6-12,15H,1,4-5,13-14,16H2,(H,25,28)
InChIKeyHFGKCNTXYQBBDD-UHFFFAOYSA-N
XLogP4.01
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3247627
3-(azepan-1-ylsulfonyl)-N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-chlorobenzamide
CID 41032131
4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55642916
4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2599735
3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55674283
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
4-chloro-N-(2-chloro-4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26693077
3-(azepan-1-ylsulfonyl)-4-chloro-N-(1H-pyrazol-5-yl)benzamide
CID 47835425
4-fluoro-N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46424018
4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55642516
3-(azepan-1-ylsulfonyl)-4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 38008845
3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 30873246

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 46427584) is 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccccc1Cn1cccn1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is HFGKCNTXYQBBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c23-19-10-9-17(15-21(19)31(29,30)27-13-4-1-5-14-27)22(28)25-20-8-3-2-7-18(20)16-26-12-6-11-24-26/h2-3,6-12,15H,1,4-5,13-14,16H2,(H,25,28).
What are the key properties of 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide?
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 458.97 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 46427584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).