N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide

C22H24ClN5O3S — CID 135375679

IUPACN-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3Cl)CC2)c1
InChIInChI=1S/C22H24ClN5O3S/c1-32(30,31)25-20-14-24-28(16-20)22(29)27-11-9-26(10-12-27)15-19-8-7-18(13-21(19)23)17-5-3-2-4-6-17/h2-8,13-14,16,25H,9-12,15H2,1H3
InChIKeyVKBBTGTVJYGVQY-UHFFFAOYSA-N
MW473.99 g/mol
LogP3.36
Rot. Bonds5

About N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide

N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide (PubChem CID 135375679) has the molecular formula C22H24ClN5O3S and a molecular weight of 473.99 g/mol. Its IUPAC name is N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
PubChem CID135375679
Molecular FormulaC22H24ClN5O3S
Molecular Weight473.99 g/mol
Exact Mass473.13
IUPAC NameN-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3Cl)CC2)c1
InChIInChI=1S/C22H24ClN5O3S/c1-32(30,31)25-20-14-24-28(16-20)22(29)27-11-9-26(10-12-27)15-19-8-7-18(13-21(19)23)17-5-3-2-4-6-17/h2-8,13-14,16,25H,9-12,15H2,1H3
InChIKeyVKBBTGTVJYGVQY-UHFFFAOYSA-N
XLogP3.36
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.99
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide with MolForge

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Related Compounds

US10323038, Example 297
CID 135375601
US10323038, Example 277
CID 135375750
US10323038, Example 293
CID 135375789
2-Benzyl-4-[(2-chlorophenyl)methyl]-7-methyl-1,1-dioxopyrazolo[4,5-e][1,2,4]thiadiazin-3-one
CID 24854620
US10323038, Example 219
CID 135375659
US10323038, Example 8
CID 135375698
US10323038, Example 7
CID 135375909
US10323038, Example 193
CID 135375920
US10323038, Example 6
CID 135375930
US10323038, Example 192
CID 135375960
4-Benzyl-2-[(3-chlorophenyl)methyl]-7-methyl-1,1-dioxo-pyrazolo[4,3-e][1,2,4]thiadiazin-3-one
CID 16077688
4-[(2-Chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl]-7-methyl-1,1-dioxo-pyrazolo[4,3-e][1,2,4]thiadiazin-3-one
CID 16077693

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide (CID 135375679) is N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3Cl)CC2)c1.
What is the InChIKey of N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is VKBBTGTVJYGVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3S/c1-32(30,31)25-20-14-24-28(16-20)22(29)27-11-9-26(10-12-27)15-19-8-7-18(13-21(19)23)17-5-3-2-4-6-17/h2-8,13-14,16,25H,9-12,15H2,1H3.
What are the key properties of N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide?
N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 473.99 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2-chloro-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 135375679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).