N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide

C21H28N2O4S2 — CID 23909328

IUPACN-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C21H28N2O4S2/c1-3-19-11-7-8-16-23(19)29(26,27)21-14-12-20(13-15-21)28(24,25)22(2)17-18-9-5-4-6-10-18/h4-6,9-10,12-15,19H,3,7-8,11,16-17H2,1-2H3
InChIKeyZRRRENFWWQALFY-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.46
Rot. Bonds7

About N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide

N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide (PubChem CID 23909328) has the molecular formula C21H28N2O4S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
PubChem CID23909328
Molecular FormulaC21H28N2O4S2
Molecular Weight436.60 g/mol
Exact Mass436.15
IUPAC NameN-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C21H28N2O4S2/c1-3-19-11-7-8-16-23(19)29(26,27)21-14-12-20(13-15-21)28(24,25)22(2)17-18-9-5-4-6-10-18/h4-6,9-10,12-15,19H,3,7-8,11,16-17H2,1-2H3
InChIKeyZRRRENFWWQALFY-UHFFFAOYSA-N
XLogP3.46
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1168554
2-[[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 98104560
N-benzyl-N-cyclopentyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 6551567
2-ethyl-1-(4-isocyanatophenyl)sulfonylpiperidine
CID 169354521
2-ethyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 2787058
[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120874759
1-[4-(3-chloropropyl)phenyl]sulfonyl-2-ethylpiperidine
CID 62922384
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845822
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
CID 109061511
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide (CID 23909328) is N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide is CCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide?
The InChIKey is ZRRRENFWWQALFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S2/c1-3-19-11-7-8-16-23(19)29(26,27)21-14-12-20(13-15-21)28(24,25)22(2)17-18-9-5-4-6-10-18/h4-6,9-10,12-15,19H,3,7-8,11,16-17H2,1-2H3.
What are the key properties of N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide?
N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide has a molecular weight of 436.60 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 23909328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).