N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide

C24H27N3O2S — CID 46055393

IUPACN-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3cccnc3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O2S/c1-20-9-11-22(12-10-20)27(30(28,29)24-7-3-2-4-8-24)23-13-16-26(17-14-23)19-21-6-5-15-25-18-21/h2-12,15,18,23H,13-14,16-17,19H2,1H3
InChIKeyZVCUCVWPGNLQDO-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.25
Rot. Bonds6

About N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide

N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 46055393) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
PubChem CID46055393
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3cccnc3)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O2S/c1-20-9-11-22(12-10-20)27(30(28,29)24-7-3-2-4-8-24)23-13-16-26(17-14-23)19-21-6-5-15-25-18-21/h2-12,15,18,23H,13-14,16-17,19H2,1H3
InChIKeyZVCUCVWPGNLQDO-UHFFFAOYSA-N
XLogP4.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
N-(3-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858646
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide
CID 46055235
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
CID 10184484
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42853466
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
3-methyl-N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46055277
3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055270
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide (CID 46055393) is N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide is Cc1ccc(N(C2CCN(Cc3cccnc3)CC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is ZVCUCVWPGNLQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-20-9-11-22(12-10-20)27(30(28,29)24-7-3-2-4-8-24)23-13-16-26(17-14-23)19-21-6-5-15-25-18-21/h2-12,15,18,23H,13-14,16-17,19H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide?
N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 421.57 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46055393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).