4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide

C22H28ClN3O3S — CID 52514656

IUPAC4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
SMILESC[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C22H28ClN3O3S/c1-16-7-5-6-12-26(16)15-19-9-4-3-8-18(19)14-24-22(27)17-10-11-20(23)21(13-17)25-30(2,28)29/h3-4,8-11,13,16,25H,5-7,12,14-15H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeySNEDMPUEDOXHNV-INIZCTEOSA-N
MW450.00 g/mol
LogP4.02
Rot. Bonds7

About 4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide

4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide (PubChem CID 52514656) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is 4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
PubChem CID52514656
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC Name4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
SMILESC[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C22H28ClN3O3S/c1-16-7-5-6-12-26(16)15-19-9-4-3-8-18(19)14-24-22(27)17-10-11-20(23)21(13-17)25-30(2,28)29/h3-4,8-11,13,16,25H,5-7,12,14-15H2,1-2H3,(H,24,27)/t16-/m0/s1
InChIKeySNEDMPUEDOXHNV-INIZCTEOSA-N
XLogP4.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-4-chloro-3-(methanesulfonamido)benzamide
CID 52798238
N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983604
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46478069
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 94113676
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate
CID 78875789
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55713960
4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 46478370
5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78875791
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide (CID 52514656) is 4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide is C[C@H]1CCCCN1Cc1ccccc1CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide?
The InChIKey is SNEDMPUEDOXHNV-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-16-7-5-6-12-26(16)15-19-9-4-3-8-18(19)14-24-22(27)17-10-11-20(23)21(13-17)25-30(2,28)29/h3-4,8-11,13,16,25H,5-7,12,14-15H2,1-2H3,(H,24,27)/t16-/m0/s1.
What are the key properties of 4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide?
4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide has a molecular weight of 450.00 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 52514656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).