4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C24H25N5O3S2 — CID 89403897

IUPAC4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccccc21
InChIInChI=1S/C24H25N5O3S2/c1-18(29-12-10-19-4-2-3-5-22(19)29)23(30)28-15-13-27(14-16-28)20-6-8-21(9-7-20)34(31,32)26-24-25-11-17-33-24/h2-12,17-18H,13-16H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyHJTTXULWXZCQHR-GOSISDBHSA-N
MW495.63 g/mol
LogP3.81
Rot. Bonds6

About 4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 89403897) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID89403897
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC Name4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccccc21
InChIInChI=1S/C24H25N5O3S2/c1-18(29-12-10-19-4-2-3-5-22(19)29)23(30)28-15-13-27(14-16-28)20-6-8-21(9-7-20)34(31,32)26-24-25-11-17-33-24/h2-12,17-18H,13-16H2,1H3,(H,25,26)/t18-/m1/s1
InChIKeyHJTTXULWXZCQHR-GOSISDBHSA-N
XLogP3.81
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466519
4-[4-[2-(5-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 89178471
4-[1-[(2S)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158574790
4-[1-[(2R)-2-indol-1-ylpropanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 157330587
4-[3-methyl-4-[2-(5-methylindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 89403970
molecular hydrogen;4-[2-oxo-4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 157485265
4-[4-[2-(5,6-difluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24872250
4-[(3S)-4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159884291
4-[4-[2-(6-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 59465765
4-[4-[(2S)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-pyrimidin-2-ylbenzenesulfonamide;molecular hydrogen
CID 160915689
4-[4-[(2R)-2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159615559
4-[1-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215087

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 89403897) is 4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccccc21.
What is the InChIKey of 4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is HJTTXULWXZCQHR-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-18(29-12-10-19-4-2-3-5-22(19)29)23(30)28-15-13-27(14-16-28)20-6-8-21(9-7-20)34(31,32)26-24-25-11-17-33-24/h2-12,17-18H,13-16H2,1H3,(H,25,26)/t18-/m1/s1.
What are the key properties of 4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 495.63 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2-indol-1-ylpropanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 89403897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).