N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide

C25H27N3O4S — CID 46055313

IUPACN-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(c1ccc2c(c1)OCO2)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H27N3O4S/c1-19-6-2-3-8-25(19)33(29,30)28(22-9-10-23-24(16-22)32-18-31-23)21-11-14-27(15-12-21)17-20-7-4-5-13-26-20/h2-10,13,16,21H,11-12,14-15,17-18H2,1H3
InChIKeyGSROSSGWXFNDMN-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.98
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide

N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 46055313) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
PubChem CID46055313
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(c1ccc2c(c1)OCO2)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H27N3O4S/c1-19-6-2-3-8-25(19)33(29,30)28(22-9-10-23-24(16-22)32-18-31-23)21-11-14-27(15-12-21)17-20-7-4-5-13-26-20/h2-10,13,16,21H,11-12,14-15,17-18H2,1H3
InChIKeyGSROSSGWXFNDMN-UHFFFAOYSA-N
XLogP3.98
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 46055298
2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888133
3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide
CID 42858234
1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 45228033
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N-(1,3-benzodioxol-5-yl)-4-chloro-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46055290
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328148
N-[[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 25287935
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 15055623
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
2'-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[6H-[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
CID 175708922
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide (CID 46055313) is N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)N(c1ccc2c(c1)OCO2)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is GSROSSGWXFNDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-19-6-2-3-8-25(19)33(29,30)28(22-9-10-23-24(16-22)32-18-31-23)21-11-14-27(15-12-21)17-20-7-4-5-13-26-20/h2-10,13,16,21H,11-12,14-15,17-18H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46055313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).