N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide

C22H30N2O2S — CID 23285239

IUPACN-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCN(CC(CCN1CCCCC1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H30N2O2S/c1-23(27(25,26)22-13-7-3-8-14-22)19-21(20-11-5-2-6-12-20)15-18-24-16-9-4-10-17-24/h2-3,5-8,11-14,21H,4,9-10,15-19H2,1H3
InChIKeyVILSHXHZWBCXQB-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.97
Rot. Bonds8

About N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide

N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide (PubChem CID 23285239) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide
PubChem CID23285239
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCN(CC(CCN1CCCCC1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H30N2O2S/c1-23(27(25,26)22-13-7-3-8-14-22)19-21(20-11-5-2-6-12-20)15-18-24-16-9-4-10-17-24/h2-3,5-8,11-14,21H,4,9-10,15-19H2,1H3
InChIKeyVILSHXHZWBCXQB-UHFFFAOYSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide
CID 23285271
N-[2-(3-chlorophenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 23285232
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperazin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 5481727
N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide
CID 124638191
N-[2-(3-chlorophenyl)-4-(3-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 23285220
N-[4-(4-tert-butylpiperidin-1-yl)-2-(3-chlorophenyl)butyl]-N-methylbenzenesulfonamide
CID 23285252
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 70263958
benzyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate
CID 18407142
benzyl N-[1-[(3R)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(cyclopropylmethyl)carbamate
CID 57153781
N-[(2S)-2-(3-chlorophenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 54375731
N-[(2S)-2-(4-fluorophenyl)-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methylbenzenesulfonamide
CID 5481871
benzyl N-[1-[(3R)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
CID 57029005

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide (CID 23285239) is N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide is CN(CC(CCN1CCCCC1)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide?
The InChIKey is VILSHXHZWBCXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-23(27(25,26)22-13-7-3-8-14-22)19-21(20-11-5-2-6-12-20)15-18-24-16-9-4-10-17-24/h2-3,5-8,11-14,21H,4,9-10,15-19H2,1H3.
What are the key properties of N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide?
N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 23285239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).