4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide

C24H26N2O3S — CID 52507385

IUPAC4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-11-13-21(14-12-18)30(28,29)25-16-19-6-5-15-26(17-19)24(27)23-10-4-8-20-7-2-3-9-22(20)23/h2-4,7-14,19,25H,5-6,15-17H2,1H3/t19-/m0/s1
InChIKeyWQQFLKAUZHNGDF-IBGZPJMESA-N
MW422.55 g/mol
LogP3.98
Rot. Bonds5

About 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide

4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide (PubChem CID 52507385) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
PubChem CID52507385
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-11-13-21(14-12-18)30(28,29)25-16-19-6-5-15-26(17-19)24(27)23-10-4-8-20-7-2-3-9-22(20)23/h2-4,7-14,19,25H,5-6,15-17H2,1H3/t19-/m0/s1
InChIKeyWQQFLKAUZHNGDF-IBGZPJMESA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[(3S)-1-(2,3-dichlorobenzoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 52859988
4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52522304
N-[[1-[(2R)-2-aminopropanoyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 119314559
N-[[1-(4-aminobutanoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 119314566
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 119314564
N,N-diethyl-5-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidin-1-yl]-5-oxopentanamide
CID 56521008
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
N-[[(3R)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 95250014
4-methyl-N-[[1-[2-(4-nitrophenyl)acetyl]piperidin-3-yl]methyl]benzenesulfonamide
CID 60618195
N-[[1-(4-amino-3-methoxybutanoyl)piperidin-3-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120591312
N-[[1-(3,5-dimethylfuran-2-carbonyl)piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 45229284

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide (CID 52507385) is 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide?
The InChIKey is WQQFLKAUZHNGDF-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-11-13-21(14-12-18)30(28,29)25-16-19-6-5-15-26(17-19)24(27)23-10-4-8-20-7-2-3-9-22(20)23/h2-4,7-14,19,25H,5-6,15-17H2,1H3/t19-/m0/s1.
What are the key properties of 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide?
4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide has a molecular weight of 422.55 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 52507385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).