4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

C23H26ClN3O3S — CID 3889008

IUPAC4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O3S/c1-16-10-12-27(13-11-16)23(28)22(14-17-15-25-21-5-3-2-4-20(17)21)26-31(29,30)19-8-6-18(24)7-9-19/h2-9,15-16,22,25-26H,10-14H2,1H3
InChIKeyATSPDDKGORSPGM-UHFFFAOYSA-N
MW460.00 g/mol
LogP3.97
Rot. Bonds6

About 4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 3889008) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is 4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID3889008
Molecular FormulaC23H26ClN3O3S
Molecular Weight460.00 g/mol
Exact Mass459.14
IUPAC Name4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O3S/c1-16-10-12-27(13-11-16)23(28)22(14-17-15-25-21-5-3-2-4-20(17)21)26-31(29,30)19-8-6-18(24)7-9-19/h2-9,15-16,22,25-26H,10-14H2,1H3
InChIKeyATSPDDKGORSPGM-UHFFFAOYSA-N
XLogP3.97
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.00
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (CID 3889008) is 4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is CC1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is ATSPDDKGORSPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3S/c1-16-10-12-27(13-11-16)23(28)22(14-17-15-25-21-5-3-2-4-20(17)21)26-31(29,30)19-8-6-18(24)7-9-19/h2-9,15-16,22,25-26H,10-14H2,1H3.
What are the key properties of 4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 460.00 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3889008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).