N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide

C20H24ClN3O3S — CID 166630293

IUPACN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1
InChIInChI=1S/C20H24ClN3O3S/c1-28(26,27)23-17-8-5-16(19(21)13-17)14-22-20(25)15-6-9-18(10-7-15)24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25)
InChIKeyWBBGFRCRZXKADB-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.63
Rot. Bonds6

About N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide

N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide (PubChem CID 166630293) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide
PubChem CID166630293
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1
InChIInChI=1S/C20H24ClN3O3S/c1-28(26,27)23-17-8-5-16(19(21)13-17)14-22-20(25)15-6-9-18(10-7-15)24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25)
InChIKeyWBBGFRCRZXKADB-UHFFFAOYSA-N
XLogP3.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide (CID 166630293) is N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide is CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)c(Cl)c1.
What is the InChIKey of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide?
The InChIKey is WBBGFRCRZXKADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-28(26,27)23-17-8-5-16(19(21)13-17)14-22-20(25)15-6-9-18(10-7-15)24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25).
What are the key properties of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide?
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide has a molecular weight of 421.95 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 166630293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).