3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide

C26H32N4O4S — CID 55527467

IUPAC3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C26H32N4O4S/c1-28(2)35(32,33)20-7-8-25(29-13-15-34-16-14-29)22(17-20)26(31)30-11-9-19(10-12-30)23-18-27-24-6-4-3-5-21(23)24/h3-8,17-19,27H,9-16H2,1-2H3
InChIKeyJNPXYFAAYLBHLN-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.27
Rot. Bonds5

About 3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide

3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide (PubChem CID 55527467) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
PubChem CID55527467
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C26H32N4O4S/c1-28(2)35(32,33)20-7-8-25(29-13-15-34-16-14-29)22(17-20)26(31)30-11-9-19(10-12-30)23-18-27-24-6-4-3-5-21(23)24/h3-8,17-19,27H,9-16H2,1-2H3
InChIKeyJNPXYFAAYLBHLN-UHFFFAOYSA-N
XLogP3.27
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-morpholin-4-yl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 35900064
N,N-dimethyl-4-morpholin-4-yl-3-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400713
N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 55549228
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
3-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55905673
4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 24599133
5-[cyclopropyl(methyl)sulfamoyl]-2-morpholin-4-ylbenzoic acid
CID 68839577
4-[4-(1H-indol-3-yl)piperidin-1-yl]-3-methylsulfonylbenzenesulfonamide
CID 56578901
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
3-[(4aR,7aR)-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 99794658
3-[[(4-fluorobenzoyl)amino]carbamoyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide
CID 55333895
3-[1-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]-1H-indole
CID 134045206

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide (CID 55527467) is 3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide?
The InChIKey is JNPXYFAAYLBHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-28(2)35(32,33)20-7-8-25(29-13-15-34-16-14-29)22(17-20)26(31)30-11-9-19(10-12-30)23-18-27-24-6-4-3-5-21(23)24/h3-8,17-19,27H,9-16H2,1-2H3.
What are the key properties of 3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide?
3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide has a molecular weight of 496.63 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N,N-dimethyl-4-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 55527467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).