N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide

C22H22Cl2N4O3S — CID 19397502

IUPACN-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C22H22Cl2N4O3S/c23-19-12-20(24)21(32(30,31)28-9-5-2-6-10-28)11-18(19)22(29)26-17-13-25-27(15-17)14-16-7-3-1-4-8-16/h1,3-4,7-8,11-13,15H,2,5-6,9-10,14H2,(H,26,29)
InChIKeyCFXAQXJGFIXGOH-UHFFFAOYSA-N
MW493.42 g/mol
LogP4.67
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide

N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 19397502) has the molecular formula C22H22Cl2N4O3S and a molecular weight of 493.42 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
PubChem CID19397502
Molecular FormulaC22H22Cl2N4O3S
Molecular Weight493.42 g/mol
Exact Mass492.08
IUPAC NameN-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C22H22Cl2N4O3S/c23-19-12-20(24)21(32(30,31)28-9-5-2-6-10-28)11-18(19)22(29)26-17-13-25-27(15-17)14-16-7-3-1-4-8-16/h1,3-4,7-8,11-13,15H,2,5-6,9-10,14H2,(H,26,29)
InChIKeyCFXAQXJGFIXGOH-UHFFFAOYSA-N
XLogP4.67
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19397751
2,4-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19336519
2,4-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19336081
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
CID 19335854
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
CID 19282902
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
2,4-dichloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19285994
2,4-dichloro-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19407924
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
propan-2-yl 4-[(2,4-dichloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19404499
2,4-dichloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19286881
2-chloro-4,5-difluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744761

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide (CID 19397502) is N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CFXAQXJGFIXGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3S/c23-19-12-20(24)21(32(30,31)28-9-5-2-6-10-28)11-18(19)22(29)26-17-13-25-27(15-17)14-16-7-3-1-4-8-16/h1,3-4,7-8,11-13,15H,2,5-6,9-10,14H2,(H,26,29).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide?
N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 493.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 19397502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).